Calculated based on number of publications stored in Pure and citations from Scopus
1975 …2024

Research activity per year

Network

M. Parrinello

  • IBM Research Division
  • IBM Zurich Research Laboratory
  • International School for Advanced Studies
  • Dipartimento di Fisica Teorica
  • University of Trieste
  • Computational Science
  • Department of Chemistry and Applied Biosciences
  • Dept. of Condensed Matter Physics
  • Department of Physics
  • Swiss Federal Institute of Technology Lausanne
  • Harvard University
  • University of Geneva
  • Rutgers - The State University of New Jersey, New Brunswick
  • IBM Research Division
  • Department of Physics and Astronomy
  • Department of Condensed Matter Physics
  • IBM Research
  • Department of Condensed Matter Physics
  • IRRMA
  • Università della Svizzera italiana
  • Computational Science
  • Department of Physics
  • IBM

External person

A. Pasquarello

  • Swiss Federal Institute of Technology Lausanne
  • Lucent
  • University of Geneva
  • Harvard University
  • Rutgers - The State University of New Jersey, New Brunswick
  • Inst. Romand Rech. Numerique P.
  • Dept. de Phys. de la Matiere Cond.
  • Department of Condensed Matter Physics
  • Ecole Polytechnique Fédérale de Lausanne (EPFL)
  • Département de la Matière Condensée
  • Ecole Polytechnique Fédérale de Lausanne (EPFL)
  • Inst. Romand Rech. Numerique P.
  • Dept. of Condensed Matter Physics
  • Inst. Romand Rech. Numerique P.
  • Inst. de Theorie Phenomenes Phys.
  • Department of Physics
  • Department of Physics and Astronomy

External person

Linfeng Zhang

  • Princeton University
  • Program in Applied and Computational Mathematics
  • DP Technology
  • AI for Science Institute

External person

Robert A. Distasio

  • Princeton University
  • Cornell University
  • Department of Chemistry
  • Department of Chemistry and Chemical Biology
  • Department of Chemistry

External person

P. J. Kelly

  • IBM
  • Administrative Headquarters of the Max Planck Society
  • Koninklijke Philips N.V.

External person

Han Wang

  • IAPCM
  • China Academy of Engineering Physics
  • Princeton University
  • Department of Chemistry
  • Laboratory of Computational Physics
  • CAEP Software Center for High Performance Numerical Simulation
  • Peking University
  • Princeton Institute for Science and Technology of Materials

External person

Giulia Galli

  • University of Illinois at Urbana-Champaign
  • IBM Zurich Research Laboratory
  • Swiss Federal Institute of Technology Lausanne
  • University of Geneva
  • Lawrence Livermore National Laboratory
  • University of California at Davis
  • Inst. Romand Rech. Numerique P.
  • Dept. of Phys. and Mat. Res. Lab.
  • IBM Research Division
  • Department of Physics
  • Départment de la Matière
  • Department of Chemistry
  • Department of Physics
  • Department of Physics and Material Research Laboratory
  • IBM
  • The University of Chicago
  • Argonne National Laboratory
  • University of Illinois Urbana-Champaign

External person

Hsin Yu Ko

  • Princeton University
  • Department of Chemistry
  • Department of Chemistry
  • Cornell University

External person

S. T. Pantelides

  • IBM
  • IBM Zurich Research Laboratory
  • International School for Advanced Studies
  • Swiss Federal Institute of Technology Lausanne

External person

Biswajit Santra

  • Princeton University
  • Fritz Haber Institute of the Max Planck Society
  • Department of Chemistry
  • Physics Department
  • Temple University
  • Institute for Computational Molecular Science, Temple University

External person

A. De Vita

  • University of Trieste
  • Swiss Federal Institute of Technology Lausanne
  • University of Geneva
  • Instituto Nazionale per la Fisica della Materia
  • Inst. Romand Rech. Numerique P.
  • Inst. Romand Rech. Numerique P.
  • Ist. Naz. Fis. della Materia
  • Ist. Naz. di Fisica della Materia
  • Inst. Romand Rech. Numerique P.
  • INFM
  • Dipartimento di Ingegneria dei Materiali
  • Dipartimento di Engegneria dei Materiali
  • Department of Condensed Matter Physics
  • Département de la Matière Condensée
  • National Research Council of Italy
  • University of Milan
  • National Institute for Nuclear Physics

External person

D. J. Srolovitz

  • Institute for High Performance Computing
  • Princeton University
  • Yeshiva University
  • Agency for Science, Technology and Research, Singapore
  • University of Pennsylvania
  • Department of Physics
  • Princeton Institute for the Science and Technology of Materials
  • Department of Mechanical Engineering
  • Department of Mechanical Engineering and Applied Mechanics
  • Department of Materials Science and Engineering
  • Princeton Materials Institute
  • Department of Mechanical and Aerospace Engineering
  • Princeton Materials Institute and Department of Mechanical and Aerospace Engineering
  • Department of Mechanical Engineering
  • Department of Mechanical and Aerospace Engineering
  • Dept. of Mech. and Aerosp. Eng.
  • Department of Materials Science and Engineering
  • City University of Hong Kong
  • ExxonMobil
  • Corporate Research Laboratories
  • Princeton Institute for Science and Technology of Materials

External person

S. Baroni

  • International School for Advanced Studies
  • University of Padua
  • Scuola Normale Superiore di Pisa
  • Swiss Federal Institute of Technology Lausanne
  • National Research Council of Italy
  • Dipartimento di Fisica
  • Forum di Fisica Teorica dell'Instituto Nazionale di Fisica Della Materia
  • Laboratoire de Physique Expérimentale
  • Quantum ESPRESSO Foundation

External person

J. C. Charlier

  • Swiss Federal Institute of Technology Lausanne
  • Université catholique de Louvain
  • University of Geneva
  • Inst. Romand Rech. Numerique P.
  • Unité de Physico-Chimie et de Physique des Matériaux
  • Inst. Romand Rech. Numerique P.
  • Department of Condensed Matter Physics

External person

F. Mauri

  • Swiss Federal Institute of Technology Lausanne
  • University of Rome La Sapienza
  • University of Geneva
  • CNRS
  • Sorbonne Université
  • Department of Condensed Matter Physic University of Genevas
  • Università di Roma La Sapienza
  • Inst. Romand Rech. Numerique P.
  • Lab. de Mineral.-Cristal. de Paris
  • Laboratoire de Minéralogie-Cristallographie de Paris
  • Dept. of Condensed Matter Physics
  • Institut Romand de Recherche
  • Ist. Di Fisica G. Marconi, Piazzale Delle Scienze
  • Institut de Minéralogie et de Physique des Matériaux et de Cosmochimie

External person

R. Gebauer

  • Abdus Salam International Centre for Theoretical Physics
  • INFM
  • National Research Council of Italy
  • INFM Detnocritos Natl. Simulat. Ctr.

External person

Xifan Wu

  • Temple University
  • Princeton University
  • Physics Department
  • Institute for Computational Molecular Science
  • Chemistry Department
  • Institute for Computational Molecular Science, Temple University

External person

Pablo M. Piaggi

  • Department of Chemistry
  • Princeton University

External person

Konstantin N. Kudin

  • Princeton University
  • Department of Chemistry
  • Princeton Institute for the Science and Technology of Materials
  • Chemistry Department

External person

Je Luen Li

  • Princeton University
  • College of William and Mary
  • NEC Laboratories America, Inc.
  • Academia Sinica - Institute of Atomic and Molecular Sciences
  • Department of Chemistry
  • Chemistry Department
  • Princeton Institute for the Science and Technology of Materials
  • Department of Chemistry
  • College of William and Mary
  • NEC Corporation

External person

Fausto Martelli

  • Princeton University
  • Department of Chemistry
  • IBM Research
  • Science and Technology Facilities Council
  • IBM Research Europe
  • University of Manchester

External person

J. Buttet

  • Swiss Federal Institute of Technology Lausanne
  • Laboratoire de Physique Expérimentale
  • Institut de Physique Expérimentale
  • Institut de Physique Expérimentale
  • Inst. de Phys. Expérimentale

External person

C. Massobrio

  • Swiss Federal Institute of Technology Lausanne
  • Université de Strasbourg
  • Clemson University
  • University of Geneva
  • Institut de Physique Expérimentale
  • Institut de Physique Expérimentale
  • Inst. de Phys. Expérimentale
  • Department of Chemical Engineering
  • Department of Condensed Matter Physics
  • 67037 Cedex
  • Clemson Univ.

External person

Alessandro De Vita

  • Swiss Federal Institute of Technology Lausanne
  • University of Trieste
  • University of Geneva
  • National Research Council of Italy

External person

Nicola Marzari

  • Princeton University
  • Massachusetts Institute of Technology
  • Swiss Federal Institute of Technology Lausanne
  • Department of Materials Science
  • Theory and Simulation of Materials (THEOS)
  • Department of Materials Science and Engineering
  • Department of Chemistry
  • Department of Materials Science and Engineering
  • Dept. of Mat. Sci. and Engineering
  • Quantum ESPRESSO Foundation
  • Massachusetts Institute of Technology

External person

W. Andreoni

  • IBM Zurich Research Laboratory
  • International School for Advanced Studies
  • EPF
  • IBM
  • Swiss Federal Institute of Technology Lausanne
  • Laboratoire de Physique Appliquée
  • Lucent
  • Laboratoire de Physique Appliquée
  • IBM Research Division

External person

Federico Zipoli

  • Princeton University
  • IBM Zurich Research Laboratory
  • Chemistry Department
  • Department of Chemistry
  • Department of Chemistry
  • IBM

External person

P. Giannozzi

  • Princeton University
  • Instituto Nazionale per la Fisica della Materia
  • Scuola Normale Superiore di Pisa
  • University of Udine
  • National Research Council of Italy
  • Department of Mathematics Computer Science and Physics
  • Dipartimento di Fisica
  • Chemistry Department
  • Department of Chemistry
  • Quantum ESPRESSO Foundation

External person

A. Oshiyama

  • IBM
  • The University of Tokyo
  • Dept. of Physics

External person

Guido L. Chiarotti

  • International School for Advanced Studies
  • National Institute for Nuclear Physics
  • SPIN S.r.l.
  • Laboratorio Tecnologie Avanzate Superfici e Catalisi

External person

X. Blase

  • Swiss Federal Institute of Technology Lausanne
  • Inst. Romand Rech. Numerique P.
  • Département de Physique de Matériaux
  • Universite Claude Bernard Lyon 1
  • Dept. de Phys. des Matériaux
  • Dept. de Phys. des Matériaux
  • U.M.R. no 5586
  • Université Claude Bernard-Lyon I and CNRS

External person

José Luís Martins

  • Swiss Federal Institute of Technology Lausanne
  • National Renewable Energy Laboratory
  • Institut de Physique Expérimentale
  • Institut de Physique Expérimentale
  • Laboratoire de Physique Expérimentale
  • Inst. de Phys. Expérimentale

External person

Filippo De Angelis

  • University of Perugia
  • Princeton University
  • National Research Council of Italy
  • Italian Institute of Technology
  • Dipartimento Chim
  • Dipto. di Chim. e Ctro. di Stud. C.
  • Department of Chemistry
  • Computational Laboratory of Hybrid/Organic Photovoltaics (CLHYO)
  • CompuNet
  • Chemistry Department
  • Istituto CNR di Scienze e Tecnologie Molecolari (ISTM)
  • Department of Chemistry

External person

Raffaele Resta

  • National Research Council of Italy
  • University of Trieste
  • Dipartimento di Fisica Teorica
  • Princeton University
  • Department of Chemistry
  • Dipartimento di Fisica Teorica
  • CNR-INFM DEMOCRITOS National Simulation Center
  • Dipartimento di Fisica Teorica

External person

Kari Laasonen

  • Swiss Federal Institute of Technology Lausanne
  • University of Geneva
  • Harvard University
  • Rutgers - The State University of New Jersey, New Brunswick
  • International School for Advanced Studies
  • IBM Zurich Research Laboratory
  • Department of Condensed Matter Physics
  • Dept. of Condensed Matter Physics
  • Department of Physics
  • IBM Research Division
  • Department of Physics and Astronomy
  • Department of Condensed Matter Physics
  • IRRMA
  • Department of Physics
  • IBM

External person

Sandro Scandolo

  • Princeton University
  • National Research Council of Italy
  • Abdus Salam International Centre for Theoretical Physics
  • Chemistry Department
  • Dept. of Geosciences
  • Department of Chemistry and Princeton Materials Institute
  • Department of Geosciences

External person

Changyol Lee

  • Swiss Federal Institute of Technology Lausanne
  • University of Geneva
  • Harvard University
  • Rutgers - The State University of New Jersey, New Brunswick
  • IBM Zurich Research Laboratory
  • Cornell University
  • Laboratory of Atomic and Solid State Physics
  • Department of Physics
  • Department of Condensed Matter Physics
  • Dept. of Condensed Matter Physics
  • Department of Physics
  • IBM Research Division
  • Department of Physics and Astronomy
  • Department of Condensed Matter Physics
  • Department of Physics
  • IRRMA
  • IBM

External person

Marcos F. Calegari Andrade

  • Princeton University
  • Department of Chemistry
  • University of Rome Tor Vergata
  • Lawrence Livermore National Laboratory

External person

L. Muechler

  • Princeton University
  • Max Planck Institute for Chemical Physics of Solids
  • Department of Chemistry
  • Center for Computational Quantum Physics
  • Flatiron Institute
  • Simons Foundation
  • Johannes Gutenberg University Mainz
  • Simons Foundation

External person

Mark S. Hybertsen

  • Lucent
  • Brookhaven National Laboratory

External person

G. Ciucci

  • Polytechnic University of Milan
  • National Research Council of Italy
  • Istituto di Fisica
  • Istituto di Fisica del Politecnico di Milano

External person

E. Tosatti

  • International School for Advanced Studies
  • Abdus Salam International Centre for Theoretical Physics
  • University of Rome La Sapienza
  • IBM Zurich Research Laboratory
  • University of Geneva
  • University of Trieste
  • Istituto di Fisica
  • Department of Physical Chemistry
  • Gruppo Nazionale di Struttura Della Materia
  • National Research Council of Italy
  • IBM
  • Istituto di Fisica, Università di Roma
  • Istituto di Fisica dell'Università

External person

Luis A. Zepeda-Ruiz

  • Princeton University
  • Lawrence Livermore National Laboratory
  • Princeton Institute for the Science and Technology of Materials
  • Chem. and Mat. Science Directorate
  • Princeton Materials Institute
  • Department of Mechanical and Aerospace Engineering
  • Department of Mechanical Engineering

External person

Joseph A. Morrone

  • Princeton University
  • Columbia University
  • Department of Chemistry
  • Department of Chemistry
  • Chemistry Department
  • Department of Chemistry
  • Chemistry Department

External person

Yudong Wu

  • Princeton University
  • Harvard University
  • Chemistry Department
  • Department of Chemistry and Chemical Biology
  • Department of Chemistry

External person

Alexandre Tkatchenko

  • Fritz Haber Institute of the Max Planck Society
  • University of Luxembourg
  • Physics and Materials Science Research Unit

External person

L. Quartapelle

  • Polytechnic University of Milan
  • National Research Council of Italy
  • Istituto di Fisica
  • Istituto di Fisica del Politecnico di Milano

External person

David Vanderbilt

  • Swiss Federal Institute of Technology Lausanne
  • University of Geneva
  • Harvard University
  • Rutgers - The State University of New Jersey, New Brunswick
  • IBM Zurich Research Laboratory
  • Department of Physics and Astronomy
  • Department of Condensed Matter Physics
  • Department of Physics and Astronomy
  • Dept. of Condensed Matter Physics
  • Department of Physics
  • IBM Research Division
  • Department of Physics and Astronomy
  • Department of Condensed Matter Physics
  • IRRMA
  • Department of Physics
  • Department of Physics
  • Department of Physics
  • IBM
  • Rutgers University

External person

F. Buda

  • Ohio State University
  • International School for Advanced Studies
  • Instituto Nazionale per la Fisica della Materia
  • Department of Physics
  • INFM
  • National Research Council of Italy

External person

L. Stauffer

  • Laboratoire de Physique et de Spectroscopie Electronique
  • LPSE
  • Lab. Phys. de Spectrosc. Electron.
  • CNRS
  • UPRES.A CNRS-7014
  • Dept. of Physics
  • Lab. Phys./de Spectrosc. Electron.
  • Laboratoire de Physique et de Spectroscopie Electronique

External person

Yantao Wu

  • Princeton University
  • Department of Physics
  • Department of Physics

External person

Mohan Chen

  • Princeton University
  • Temple University
  • Department of Mechanical and Aerospace Engineering
  • Physics Department
  • Peking University
  • Institute for Computational Molecular Science, Temple University

External person

Hannes C. Schniepp

  • Princeton University
  • College of William and Mary
  • Department of Chemical Engineering
  • Department of Chemical Engineering
  • Department of Applied Science
  • Lewis-Sigler Institute for Integrative Genomics
  • College of William and Mary
  • Department of Chemical Engineering

External person

Emil Prodan

  • Yeshiva University
  • Princeton University
  • Department of Physics
  • Chemistry Department

External person

Manu Sharma

  • Princeton University
  • University of California at Davis
  • Chemistry Department
  • Department of Chemistry
  • Department of Chemistry

External person

L. Lin

  • Princeton University

External person

G. Brocks

  • Koninklijke Philips N.V.

External person

Ph Sonnet

  • Laboratoire de Physique et de Spectroscopie Electronique
  • LPSE
  • Lab. Phys. de Spectrosc. Electron.
  • CNRS
  • UPRES.A CNRS-7014
  • Dept. of Physics
  • Lab. Phys./de Spectrosc. Electron.
  • Laboratoire de Physique et de Spectroscopie Electronique

External person

K. Burke

  • University of California at Irvine
  • Rutgers - The State University of New Jersey, New Brunswick
  • Department of Chemistry
  • Department of Chemistry
  • Department of Chemistry and Chemical Biology
  • Department of Chemistry
  • Department of Physics and Astronomy
  • Departments of Physics and of Chemistry

External person

A. Baldereschi

  • EPF
  • University of Geneva
  • Laboratoire de Physique Appliquée
  • Department of Condensed Matter Physics
  • Swiss Federal Institute of Technology Lausanne

External person

Richard M. Martin

  • University of Illinois at Urbana-Champaign
  • Dept. of Phys. and Mat. Res. Lab.
  • Department of Physics
  • Department of Physics
  • Department of Physics
  • The University of Chicago
  • Lucent
  • Department of Physics
  • Department of Physics
  • Department of Physics and Material Research Laboratory
  • University of Illinois Urbana-Champaign

External person

Nicholas Kioussis

  • California State University Northridge
  • Department of Physics and Astronomy
  • Department of Physics
  • Department of Physics

External person

Y. H. Tang

  • California State University Northridge
  • National Central University
  • Department of Physics
  • Department of Physics
  • Department of Physics

External person

Alan Kalitsov

  • California State University Northridge
  • Department of Physics
  • Department of Physics

External person

Johannes Sarnthein

  • University of Geneva
  • Swiss Federal Institute of Technology Lausanne
  • Vienna University of Technology
  • Department of Condensed Matter Physics
  • Institut für Technische Elektrochemie

External person

Jeremy C. Palmer

  • Princeton University
  • University of Houston
  • Department of Chemical and Biomolecular Engineering
  • Lewis-Sigler Institute for Integrative Genomics
  • Department of Chemical and Biological Engineering
  • Cullen College of Engineering

External person

Y. Kanai

  • Princeton University
  • University of California at Berkeley
  • Department of Chemistry
  • Berkeley Nanosciences and Nanoengineering Institute
  • Department of Chemistry
  • Chemistry Department
  • University of North Carolina at Chapel Hill

External person

Maria Carolina Muniz

  • Princeton University

External person

F. Ancilotto

  • IBM Zurich Research Laboratory
  • International School for Advanced Studies
  • University of Padua
  • University of Geneva
  • University of Fribourg
  • Swiss Federal Institute of Technology Lausanne
  • IBM Research Division
  • Dipartimento di Fisica
  • Dipartimento di Fisica G. Galilei
  • Department of Physical Chemistry
  • Institute of Theoretical Physics
  • IBM

External person

Jörg Rottler

  • Princeton University
  • University of British Columbia
  • Dept. of Physics and Astronomy
  • Princeton Institute for the Science and Technology of Materials

External person

Thomas E. Gartner

  • Lehigh University
  • Georgia Institute of Technology
  • Princeton University

External person

D. Hohl

  • Jülich Research Centre

External person

E. Smargiassi

  • International School for Advanced Studies
  • IBM
  • IBM Zurich Research Laboratory
  • Swiss Federal Institute of Technology Lausanne
  • École normale supérieure de Lyon
  • Ctr. Europeen Calcul Atom. M.

External person

Amedeo Palma

  • National Research Council of Italy
  • Swiss Federal Institute of Technology Lausanne
  • IRRMA
  • Istituto per lo Studio dei Materiali Nanostrullurati (ISMN)

External person

Lin Lin

  • Lawrence Berkeley National Laboratory
  • Princeton University
  • Program in Applied and Computational Mathematics
  • Computational Research Division
  • Computational Research Division
  • Department of Mathematics
  • University of California at Berkeley

External person

L. Simon

  • LPSE
  • Laboratoire de Physique et de Spectroscopie Electronique
  • UPRES.A CNRS-7014
  • Laboratoire de Physique et de Spectroscopie Electronique

External person

Carlo Sbraccia

  • Princeton University
  • National Research Council of Italy
  • Constellation Energy Commodities Group
  • Department of Chemistry
  • Chemistry Department

External person

L. Kubler

  • LPSE
  • Laboratoire de Physique et de Spectroscopie Electronique
  • UPRES.A CNRS-7014
  • Laboratoire de Physique et de Spectroscopie Electronique

External person

I. Štich

  • International School for Advanced Studies
  • IBM

External person

L. Blum

  • University of Puerto Rico
  • Department of Physics
  • Department of Physics

External person

G. Charles Dismukes

  • Princeton University
  • Department of Chemistry
  • Chemistry Department
  • Department of Chemistry
  • Rutgers - The State University of New Jersey, New Brunswick

External person

Lise Gilgien

  • Swiss Federal Institute of Technology Lausanne
  • University of Geneva
  • Départment de la Matière

External person

Michael J. McAllister

  • Princeton University
  • Department of Chemical Engineering
  • Department of Chemical Engineering

External person

Stefano De Gironcoli

  • National Research Council of Italy
  • International School for Advanced Studies

External person

Todd J. Minehardt

  • N Space Labs Inc.
  • Princeton University
  • University of Colorado Denver
  • Department of Chemistry
  • Chemistry Department
  • Department of Chemistry

External person

Matthias Scheffler

  • Fritz Haber Institute of the Max Planck Society
  • Fritz-Haber-Institut der Max-Planck-Gesellschaft
  • Humboldt University of Berlin

External person

Brian D. Wirth

  • University of California at Berkeley
  • University of Tennessee, Knoxville
  • Lawrence Livermore National Laboratory
  • Department of Nuclear Engineering
  • Chem. and Mat. Science Directorate
  • Berkeley Center for Theoretical Physics

External person

Jeffrey D. Schmitt

  • Targacept Inc.
  • Molecular Design Group
  • Targacept, Inc.

External person

Seungwu Han

  • Princeton University
  • Ewha Womans University
  • Princeton Institute for the Science and Technology of Materials
  • Department of Physics
  • Princeton Materials Institute

External person

Dudley A. Saville

  • Princeton University
  • Department of Chemical Engineering
  • Department of Chemical Engineering
  • Princeton Materials Institute
  • Department of Chemical Engineering
  • Princeton Institute for Science and Technology of Materials

External person

Titus Neupert

  • Princeton University
  • University of Zurich
  • National University of Singapore
  • Department of Physics
  • Department of Physics
  • Princeton Center for Theoretical Physics
  • Department of Physics
  • Paul Scherrer Institute

External person

Graeme J. Ackland

  • University of Edinburgh
  • School of Physics
  • Department of Physics and Astronomy
  • Department of Physics
  • Department of Physics and Astronomy

External person

P. M. Ajayan

  • Rensselaer Polytechnic Institute
  • Max Planck Institute for Intelligent Systems
  • Dept. of Mat. Sci. and Engineering
  • Department of Materials Science and Engineering

External person

A. Dal Corso

  • International School for Advanced Studies
  • National Research Council of Italy
  • University of Geneva
  • Swiss Federal Institute of Technology Lausanne
  • Instituto Nazionale per la Fisica della Materia
  • Department of Condensed Matter Physics

External person

M. Stoffel

  • LPSE
  • Laboratoire de Physique et de Spectroscopie Electronique
  • UPRES.A CNRS-7014
  • Laboratoire de Physique et de Spectroscopie Electronique

External person

Q. M. Zhang

  • International School for Advanced Studies
  • North Carolina State University
  • Department of Physics

External person

W. H. Butler

  • University of Alabama
  • MINT Center

External person

Simone Meloni

  • Consorzio Interuniversitario per le Applicazioni di Supercalcolo per Università e Ricerca
  • University of Rome La Sapienza

External person

Edward I. Stiefel

  • Princeton University
  • Princeton Environmental Institute
  • Chemistry Department
  • Department of Chemistry
  • Department of Chemistry

External person

Davide Tisi

  • International School for Advanced Studies
  • Swiss Federal Institute of Technology Lausanne

External person

Jaehun Chun

  • Princeton University
  • Department of Chemical Engineering
  • Department of Chemical Engineering

External person

Denghui Lu

  • Peking University

External person

C. Cavazzoni

  • CINECA
  • Instituto Nazionale per la Fisica della Materia
  • Quantum ESPRESSO Foundation
  • Cineca Consortium of Universities
  • National Research Council of Italy

External person

C. J. Mundy

  • Lawrence Livermore National Laboratory
  • Chemistry and Materials Science

External person

Patrick H.L. Sit

  • Princeton University
  • Department of Chemistry
  • Department of Chemistry

External person

E. S. Fois

  • International School for Advanced Studies
  • University of Milan
  • Dipartimento di Chimica Fisica ed Elettrochimica
  • University of Insubria

External person

M. E. Colvin

  • Lawrence Livermore National Laboratory
  • University of California Merced
  • Biol. and Biotech. Research Program
  • Sch. of Nat. Sci. and Engineering

External person

V. Musolino

  • Swiss Federal Institute of Technology Lausanne
  • University of Geneva
  • Dept. de Phys. de la Matiere Cond.
  • Inst. Romand Rech. Numerique P.
  • Inst. Romand Rech. Numerique P.

External person

Weile Jia

  • University of California at Berkeley
  • University of Chinese Academy of Sciences
  • CAS - Institute of Computing Technology

External person

Vijay Kumar

  • Abdus Salam International Centre for Theoretical Physics
  • International School for Advanced Studies
  • Materials Science Division
  • Indira Gandhi Centre for Atomic Research

External person

Michael L. Klein

  • Temple University
  • Institute for Computational Molecular Science
  • Department of Chemistry
  • Physics Department
  • Department of Chemistry
  • University of Pennsylvania
  • University of Cambridge
  • Institute for Computational Molecular Science, Temple University

External person

G. Pastore

  • Dipartimento di Fisica Teorica dell' Università
  • Dipartimento di Fisica Teorica dell'Università
  • Dipartimento di Fisica Teorica dell' Università
  • International School for Advanced Studies
  • University of Trieste
  • Abdus Salam International Centre for Theoretical Physics
  • Dipto. di Fis. Teor. dell'Univ.
  • Dipartimento di Fisica Teorica

External person

Kaustuv Manna

  • Max Planck Institute for Chemical Physics of Solids
  • Indian Institute of Technology Delhi

External person

Shuwen Yue

  • Princeton University
  • Massachusetts Institute of Technology
  • Massachusetts Institute of Technology

External person

Gustavo E. Scuseria

  • Rice University
  • Department of Chemistry
  • Department of Chemistry
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I. Kaganovich

  • Princeton University
  • United States Department of Energy
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G. Mula

  • University of Cagliari
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I. Timrov

  • Swiss Federal Institute of Technology Lausanne
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I. Åtich

  • International School for Advanced Studies
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G. Scoles

  • Princeton University
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External person

Yang Zhang

  • Leibniz Institute for Solid State and Materials Research Dresden
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External person

Xiaofei Wang

  • Princeton University
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Ben Slater

  • University College London
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Marcus A. Neumann

  • Avant-garde Materials Simulation
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Rebecca Harris

  • Targacept Inc.
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Andrea Trave

  • Princeton University
  • University of Geneva
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Richard Berndt

  • RWTH Aachen University
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Roger Cooke

  • University of California at San Francisco
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L. Paulatto

  • Sorbonne Université
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A. Kokalj

  • J. Stefan Institute
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Viktor N. Staroverov

  • Western University
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Dario Alfè

  • University College London
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K. Müller

  • University of Zurich
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M. Cococcioni

  • Swiss Federal Institute of Technology Lausanne
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Daniel M. Dabbs

  • Princeton University
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P. Carnevali

  • IBM Italia
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J. Jia

  • Department of Chemistry and Chemical Biology
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Angelos Michaelides

  • University College London
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Yixiao Chen

  • Princeton University

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Michele Lazzeri

  • Laboratoire de Mineralogie Cristallographie de Paris
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A. Smogunov

  • ComUE Paris-Saclay
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François Gygi

  • Swiss Federal Institute of Technology Lausanne
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P. Umari

  • University of Padua
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S. Piccinin

  • Princeton University
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P. Ballone

  • IBM Zurich Research Laboratory
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Y. Wu

  • Princeton University
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Sigbjørn L. Bore

  • University of California at San Diego
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Balázs Hetényi

  • International School for Advanced Studies
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X. Gonze

  • University of Geneva
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Nicolás Giovambattista

  • City University of New York
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Thomas G. Spiro

  • Princeton University
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P. D'Angelo

  • Polytechnic University of Milan
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G. Garreau

  • LPSE
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Yan Sun

  • Max Planck Institute for Chemical Physics of Solids

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D. N. Edwards

  • University of Liverpool

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Edward Pate

  • Washington State University Pullman
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A. Canning

  • Swiss Federal Institute of Technology Lausanne
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D. Aubel

  • LPSE
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Wei Chen

  • Princeton University
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Jianfeng Lu

  • Princeton University
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Jiří Klimeš

  • University of Vienna
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J. Bernholc

  • North Carolina State University
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C. Andreani

  • University of Rome Tor Vergata
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U. Gerstmann

  • Paderborn University
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Joseph MacIejko

  • Princeton University
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Seungwu Han

  • Ewha Womans University
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Johannes Hoja

  • Fritz Haber Institute of the Max Planck Society
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Douglas H. Adamson

  • University of Connecticut
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A. Ferretti

  • National Research Council of Italy
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R. O. Jones

  • Jülich Research Centre

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J. L. Bischoff

  • LPSE
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External person

G. Fratesi

  • University of Milan
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External person

C. Pirri

  • UPRES.A CNRS-7014
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External person

Jiequn Hana

  • Princeton University
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Wolf Dieter Schneider

  • University of Lausanne
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External person

Li Min Liu

  • Princeton University
  • Beijing Computational Science Research Centre
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D. L. Carroll

  • Max Planck Institute for Intelligent Systems
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Silviu Zilberman

  • Department of Chemistry
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  • Department of Chemistry

External person

P. Delugas

  • International School for Advanced Studies
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I. Carnimeo

  • University of Udine
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Jianmin Tao

  • Temple University
  • University of Pennsylvania
  • Physics Department
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External person

B. Ghidini

  • University of Bari
  • National Institute for Nuclear Physics
  • INFN
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J. R. Fry

  • University of Liverpool
  • National Institute for Nuclear Physics
  • Ohio State University
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External person

D. Ceresoli

  • National Research Council of Italy
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External person

Matthias Böhringer

  • University of Lausanne
  • Robert Bosch GmbH
  • Max Planck Institute for Solid State Research
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External person

Charles W. Myles

  • Texas Tech University
  • Swiss Federal Institute of Technology Lausanne
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External person

A. P. Seitsonen

  • University of Zurich
  • École normale supérieure
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External person

R. Krishnamurthy

  • Princeton University
  • Department of Chemistry
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External person

Klaus Koepernik

  • Leibniz Institute for Solid State and Materials Research Dresden

External person

Peter A. Kollman

  • University of California at San Francisco
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External person

G. M. Cicuta

  • National Institute for Nuclear Physics
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External person

S. Sorella

  • International School for Advanced Studies

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Paul Tangney

  • Princeton University
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M. Edwards

  • Daresbury Laboratory

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Yuxiang Mo

  • Temple University
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M. Calandra

  • Sorbonne Université
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External person

Frank H. Stillinger

  • Lucent
  • Princeton University
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I. L. Smith

  • Daresbury Laboratory

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R. Senesi

  • University of Rome Tor Vergata
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Yang Liu

  • Princeton University
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External person

G. Rignanese

  • University of Geneva
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External person

L. Mandelli

  • CERN
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Saul H. Lapidus

  • Argonne National Laboratory
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J. Van Den Brink

  • Leibniz Institute for Solid State and Materials Research Dresden
  • Technische Universität Dresden
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External person

Tyger H. Salters

  • Princeton University

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Lorenzo Monacelli

  • Swiss Federal Institute of Technology Lausanne
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External person

I. Petri

  • Swiss Federal Institute of Technology Lausanne

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Dale A. Huckaby

  • Texas Christian University
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Glenn P.A. Yap

  • University of Delaware

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Pietro Bonfà

  • Istituto Nanoscienze
  • University of Parma
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External person

Albert M. Lund

  • OpenEye Scientific Software, Inc
  • University of Utah
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Manolis Vasileiadis

  • Imperial College London
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Chunyi Zhang

  • Temple University
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Ronald D. Vale

  • University of California at San Francisco
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Balázs Hetányi

  • Graz University of Technology
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T. Brumme

  • Leipzig University
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Rolf Stinshoff

  • Max Planck Institute for Chemical Physics of Solids

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M. Payne

  • Swiss Federal Institute of Technology Lausanne

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Aaron George

  • Targacept Inc.
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Rakesh S. Singh

  • Princeton University
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External person

Guocai Tian

  • Temple University
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External person

Qiang Zhu

  • Stony Brook University
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Yanming Ma

  • State Key Laboratory of Superhard Materials
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M. A. Adams

  • Rutherford Appleton Laboratory

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R. Ambigapathy

  • Swiss Federal Institute of Technology Lausanne

External person

Bartomeu Monserrat

  • University of Cambridge
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Pablo G. Debenedet

  • Princeton University

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Thomas G. Carrell

  • Princeton University
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Philip S. Hammond

  • Targacept Inc.
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External person

Krzysztof Szalewicz

  • University of Delaware
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Jie Liu

  • Hunan University

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Han Bao

  • University of Chinese Academy of Sciences
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Dudley A. Saville

  • Princeton University
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Andrea Vittadini

  • University of Padua
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  • Ist. Chim. Tecnologie Inorganiche M.
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External person

Rui Guo

  • University College London
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External person

Maia G. Vergniory

  • University of the Basque Country
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External person

Anita M. Orendt

  • University of Utah
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Diego Troya

  • Northwestern University
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Lixin Zheng

  • Temple University
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External person

Jae Yel Yi

  • North Carolina State University
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Alexander I. Kolesnikov

  • Oak Ridge National Laboratory

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Bo Wang

  • East China Normal University

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A. Otero-De-La-Roza

  • University of British Columbia
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P. B. Allen

  • Stony Brook University
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Fanny Rodolakis

  • Argonne National Laboratory
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Elia Schneider

  • New York University
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Pier Luigi Silvestrelli

  • Scuola Normale Superiore di Pisa
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External person

Rebecca K. Hylton

  • University College London
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Daniel Sebastiani

  • Max Planck Institute for Polymer Research
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J. Bröring

  • University of Bonn

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H. Terrones

  • Universidad Nacional Autónoma de México
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Angeles Pulido

  • University of Southampton
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L. Helm

  • Swiss Federal Institute of Technology Lausanne

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S. A. Kajihara

  • North Carolina State University
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Majed Chergui

  • Swiss Federal Institute of Technology Lausanne
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External person

A. Pietropaolo

  • University of Rome Tor Vergata
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Max Koentopp

  • Rutgers - The State University of New Jersey, New Brunswick
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A. Hodgson

  • University of Liverpool
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J. T.K. Wan

  • Princeton University
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Young Gui Yoon

  • Princeton University
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Farren Curtis

  • Tulane University
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External person

A. A. Manuel

  • Swiss Federal Institute of Technology Lausanne

External person

Daniël T. De Jong

  • Radboud University Nijmegen
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External person

Giovanni Ciccotti

  • University of Rome La Sapienza
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External person

Ziyao Li

  • Peking University
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Nicola Bonini

  • Massachusetts Institute of Technology
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Layla Martin-Samos

  • National Research Council of Italy

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Shigeaki Obata

  • Toyohashi University of Technology
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Kehan Cai

  • Princeton University

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Niek J.J. De Klerk

  • Radboud University Nijmegen
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Martin A. Blood-Forsythe

  • Harvard University
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J. Q. Broughton

  • Naval Research Laboratory
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Gregory P. Shields

  • Cambridge Crystallographic Data Centre
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Leslie Vogt

  • New York University
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Richard J. Needs

  • University of Cambridge

External person

Adam Wasserman

  • Purdue University
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External person

Peter E. Blöchl

  • IBM
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External person

Jennifer Cano

  • Princeton University
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Steven G. Louie

  • University of California at Berkeley
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Amedeo Palma

  • National Research Council of Italy

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Christoph Schober

  • Technical University of Munich
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External person

Silviu Zilberman

  • Princeton University
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External person

Ahmed A. Abdala

  • Princeton University
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External person

Laurent J. Lewis

  • University of Geneva
  • Département de la Matière Condensée

External person

Predrag Krstic

  • Stony Brook University
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External person

G. T. Barkema

  • Cornell University
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External person

Yingze Wang

  • Peking University
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Jingjing Lin

  • Princeton University
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External person

Ted Belytschko

  • Northwestern University
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External person

Herma M. Cuppen

  • Radboud University Nijmegen
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External person

S. Poncé

  • University of Oxford
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Marcello Puligheddu

  • The University of Chicago
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External person

Cesare Malosso

  • International School for Advanced Studies

External person

Katherine Cosburn

  • Tulane University
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External person

Marián Rynik

  • Comenius University

External person

Amir Haji-Akbari

  • Yale University
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External person

S. De Leeuw

  • University of Geneva
  • Department of Condensed Matter Physics
  • Delft University of Technology

External person

Alvaro Vazquez-Mayagoitia

  • Argonne National Laboratory
  • Argonne National Laboratory

External person

T. M. Tritt

  • Clemson University
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External person

Dmitry Marchenko

  • Helmholtz Centre Berlin for Materials and Energy
  • Free University of Berlin
  • Elektronenspeicherring BESSY II
  • Physikalische und Theoretische Chemie

External person

D. H. Powell

  • Swiss Federal Institute of Technology Lausanne

External person

Richard A. Yetter

  • Princeton University
  • Pennsylvania State University
  • Dept. of Mech. and Aerosp. Eng.
  • Department of Mechanical and Aerospace Engineering
  • Department of Mechanical and Aerospace Engineering
  • Department of Mechanical and Nuclear Engineering
  • Department of Mechanical
  • Department of Chemistry
  • Penn State University

External person

A. Alexandradinata

  • Princeton University
  • Yale University
  • Department of Physics
  • Department of Physics
  • Department of Physics
  • University of Illinois at Urbana-Champaign

External person

M. Marsili

  • University of Padua

External person

Longtao Han

  • Stony Brook University
  • Institute for Advanced Computational Science and Department of Material Science and Engineering
  • College of Engineering and Applied Sciences

External person

Marcos Calegari Andrade

  • Lawrence Livermore National Laboratory
  • Princeton University

External person

Zhaofeng Li

  • Princeton University
  • Department of Physics

External person

Dudley A. Seville

  • Princeton University
  • Department of Chemical Engineering
  • Department of Chemical Engineering

External person

Renu Chadha

  • Panjab University

External person

Alán Aspuru-Guzik

  • Harvard University
  • Canadian Institute for Advanced Research
  • Department of Chemistry and Chemical Biology
  • Biologically-Inspired Solar Energy Program
  • Bio-Inspired Solar Energy Program
  • Canadian Institute for Advanced Research
  • University of Toronto
  • Department of Chemistry and Chemical Biology
  • Department of Chemistry and Chemical Biology
  • Vector Institute
  • Vector Institute

External person

Stefano Paolini

  • International School for Advanced Studies
  • SPIN S.r.l.

External person

Rita Bylsma

  • Radboud University Nijmegen
  • Institute for Molecules and Materials

External person

Ning Jin

  • Princeton University
  • Chemistry Department
  • Department of Chemistry

External person

Lin Lin

  • Princeton University

External person

Haotian Ye

  • Peking University

External person

Dennis M. Elking

  • OpenEye Scientific Software, Inc
  • OpenEye Scientific Software, Inc.

External person

Harald Oberhofer

  • Technical University of Munich
  • Chr. for Theoretical Chemistry and Catalysis Research Center

External person

Andrzej A. Jarzecki

  • Princeton University
  • City University of New York
  • Department of Chemistry
  • Chemistry Department

External person

F. Tassone

  • Swiss Federal Institute of Technology Lausanne
  • Scuola Normale Superiore di Pisa

External person

Christian R. Ast

  • Max Planck Institute for Solid State Research

External person

Rona E. Watson

  • University College London
  • Department of Chemistry

External person

F. Riva

  • Istituto di Fisica dell'Università
  • National Institute for Nuclear Physics
  • INFN

External person

R. A. Ronald

  • University of Liverpool

External person

Thomas S. Gee

  • University of Southampton
  • School of Chemistry

External person

A. Palano

  • University of Bari
  • National Institute for Nuclear Physics
  • University of Barcelona
  • Humboldt University of Berlin
  • Laboratoire d'Annecy-le-Vieux de physique des particules
  • University of Bergen
  • University of Basilicata
  • Università di Bari
  • Dipartmento di Fisica
  • Università di Bari
  • INFN
  • Facultat de Fisica
  • Humboldt-Universität zu Berlin
  • INFN Sezione Di Bari
  • INFN Sezione di Ferrara
  • Institute of Physics
  • INFN
  • INFN
  • Thomas Jefferson National Accelerator Facility

External person

Rafal Podeszwa

  • University of Silesia in Katowice
  • Institute of Chemistry

External person

I. Stensgaard

  • Aarhus University
  • Institute of Physics and Astronomy

External person

Jack Yang

  • University of Southampton
  • School of Chemistry

External person

Giancarlo Cicero

  • Lawrence Livermore National Laboratory

External person

Andras Stirling

  • Swiss Federal Institute of Technology Lausanne
  • Hungarian Academy of Sciences
  • Institute of Isotope and Surface Chemistry

External person

Li’ang Huang

  • Tsinghua University

External person

Artëm E. Masunov

  • University of Central Florida
  • Moscow Engineering Physics Institute
  • NanoScience Technology Center
  • Department of Condensed Matter Physics
  • Department of Physics
  • Department of Chemistry

External person

Jian Zhong Wu

  • Princeton University
  • South China Normal University
  • Department of Chemistry

External person

Sharmarke Mohamed

  • Khalifa University of Science and Technology

External person

René De Gelder

  • Radboud University Nijmegen
  • Institute for Molecules and Materials

External person

Johannes Gooth

  • Max Planck Institute for Chemical Physics of Solids

External person

D. Flammini

  • University of Rome Tor Vergata
  • Dipartimento di Fisica
  • Agenzia nazionale per le nuove tecnologie, l'energia e lo sviluppo economico sostenibile

External person

D. M. Ceperley

  • University of Illinois at Urbana-Champaign
  • University of Illinois Urbana-Champaign

External person

Wojciech Jankiewicz

  • University of Silesia in Katowice
  • Institute of Chemistry

External person

Jean Grammer

  • Washington State University Pullman
  • School of Molecular Biosciences

External person

Jürgen Kübler

  • Institut für Festkörperphysik
  • Max Planck Institute for Chemical Physics of Solids
  • Technische Universität Darmstadt

External person

P. Redlich

  • Max Planck Institute for Intelligent Systems

External person

A. Varykhalov

  • Helmholtz Centre Berlin for Materials and Energy
  • St. Petersburg State University
  • Elektronenspeicherring BESSY II
  • Institute of Physics

External person

David H. Case

  • University of Southampton
  • School of Chemistry

External person

Gerhard H. Fecher

  • Johannes Gutenberg University Mainz
  • Institut für Anorganische und Analytische Chemie
  • Institute for Inorganic and Analytic Chemistry
  • Max Planck Institute for Chemical Physics of Solids

External person

Connie Chang

  • Cornell University
  • Rutgers - The State University of New Jersey, New Brunswick
  • Laboratory of Solid State Physics
  • Department of Chemistry and Chemical Biology

External person

A. Floris

  • University of Lincoln
  • School of Mathematics and Physics

External person

John P. Perdew

  • Temple University
  • Department of Chemistry
  • Physics Department
  • Institute for Computational Molecular Science, Temple University

External person

M. Terrones

  • University of Sussex
  • Universidad Nacional Autónoma de México
  • School of Chemistry
  • Instituto de Fisica
  • Department of Physics
  • Center for Atomically Thin Multifunctional Coatings (ATOMIC)
  • Department of Chemistry
  • Center for 2-Dimensional and Layered Materials
  • Department of Materials Science and Engineering
  • Pennsylvania State University
  • Shinshu University

External person

Y. Raitses

  • Princeton University
  • Propulsion Physics Laboratory
  • Soreq Nuclear Research Center
  • Propulsion Physics Laboratory
  • AIAA
  • United States Department of Energy
  • Princeton Plasma Physics Laboratory
  • AIAA
  • MS-17

External person

Jinzhe Zeng

  • East China Normal University
  • Rutgers - The State University of New Jersey, New Brunswick

External person

G. Zhang

  • Princeton University
  • Department of Chemistry
  • Department of Physics and Astronomy
  • University of Pennsylvania
  • Department of Physics and Astronomy

External person

Sarah Rice

  • University of California at San Francisco
  • Department of Cellular and Molecular Pharmacology

External person

Alberto Ambrosetti

  • Fritz Haber Institute of the Max Planck Society

External person

A. E. Merbach

  • Swiss Federal Institute of Technology Lausanne

External person

Chandra Shekhar

  • Max Planck Institute for Chemical Physics of Solids

External person

Jiameng Huang

  • Peking University
  • DP Technology

External person

T. Gorni

  • Sorbonne Université
  • International School for Advanced Studies
  • CNRS
  • Institut de Minéralogie et de Physique des Matériaux et de Cosmochimie

External person

Yu Xia

  • ByteDance Ltd.

External person

Duo Zhang

  • Peking University
  • AI for Science Institute
  • DP Technology

External person

Jan Gerit Brandenburg

  • University of Bonn
  • University College London
  • Mulliken Center for Theoretical Chemistry
  • Department of Chemistry

External person

Graeme M. Day

  • University of Southampton
  • School of Chemistry

External person

Andrew M. Rappe

  • University of Pennsylvania
  • Department of Chemistry
  • Makineni Theoretical Laboratories

External person

Yibo Wang

  • DP Technology

External person

Étienne Marcotte

  • Princeton University
  • Department of Physics

External person

Hiroaki Sai

  • Princeton University
  • Department of Chemistry

External person

Zeyu Li

  • Peking University

External person

É Tóth

  • Swiss Federal Institute of Technology Lausanne

External person

M. Buongiorno Nardelli

  • University of North Texas
  • Department of Physics

External person

Luca M. Ghiringhelli

  • Fritz Haber Institute of the Max Planck Society

External person

M. P. Grumbach

  • University of Illinois at Urbana-Champaign
  • Department of Physics
  • University of Illinois Urbana-Champaign

External person

Ralph G. Yount

  • Washington State University Pullman
  • School of Molecular Biosciences
  • Department of Chemistry

External person

Yanchao Wang

  • Jilin University
  • State Key Laboratory of Superhard Materials

External person

Saroj K. Nayak

  • Rensselaer Polytechnic Institute
  • Department of Physics
  • Department of Physics, Applied Physics, and Astronomy
  • Department of Physics

External person

R. A. Meuli

  • Swiss Federal Institute of Technology Lausanne
  • Laboratoire de Physique Expérimentale

External person

Mark E. Tuckerman

  • New York University
  • New York University Shanghai
  • East China Normal University
  • Institute for Pure and Applied Mathematics
  • Department of Chemistry
  • Department of Chemistry

External person

Stefano Fabris

  • National Research Council of Italy
  • International School for Advanced Studies

External person

Jack Weis

  • Princeton University

External person

Riccardo Bertossa

  • International School for Advanced Studies

External person

Y. P. Sun

  • Clemson University
  • Department of Chemistry

External person

Jason C. Cole

  • Cambridge Crystallographic Data Centre
  • Cambridge Crystallographic Data Centre

External person

F. Giustino

  • University of Oxford
  • Department of Materials

External person

Davide Brunato

  • International School for Advanced Studies

External person

Diana Y. Qiu

  • Yale University

External person

Eli Chertkov

  • Princeton University
  • Department of Physics
  • Department of Physics
  • Quantinuum

External person

Chenxing Luo

  • Columbia University

External person

Roman Martoňák

  • International School for Advanced Studies

External person

Renata M.M. Wentzcovitch

  • Department of Applied Physics and Applied Mathematics
  • Dept. of Earth and Environ. Sciences
  • Columbia University
  • Simons Foundation

External person

Laszlo Fusti-Molnar

  • OpenEye Scientific Software, Inc
  • OpenEye Scientific Software, Inc.

External person

Maurizio Casarin

  • University of Padua
  • Dipartimento di Scienze Chimiche
  • CNR-ISTM and INSTM
  • Dipartimento di Chimica Inorganica
  • Department of Chemical Sciences
  • Dipartimento di Scienze Chimiche
  • National Research Council of Italy

External person

Martin Knupfer

  • Leibniz Institute for Solid State and Materials Research Dresden

External person

Sonia Jimenez

  • Swiss Federal Institute of Technology Lausanne
  • Inst. Romand Rech. Numerique P.
  • Inst. de Phys. Expérimentale
  • University of Lausanne
  • Inst. de Phys. Expérimentale

External person

A. Parola

  • International School for Advanced Studies

External person

Darrin M. York

  • Rutgers - The State University of New Jersey, New Brunswick

External person

B. Nellen

  • University of Bonn
  • Physikalisches Institut

External person

Francesco Paesani

  • University of California at San Diego

External person

Jiming Sun

  • Princeton University
  • Department of Physics

External person

B. K. Clark

  • Princeton University
  • University of Illinois at Urbana-Champaign
  • Princeton Center for Theoretical Physics
  • Department of Physics
  • Department of Physics

External person

Stefan Grimme

  • University of Bonn
  • Mulliken Center for Theoretical Chemistry

External person

Detlef W.M. Hofmann

  • POLARIS
  • FlexCryst
  • CRS4
  • Sardegna Ricerche

External person

Alston J. Misquitta

  • Queen Mary University of London
  • School of Physics and Astronomy

External person

Renata M. Wentzcovitch

  • University of Minnesota Twin Cities
  • Department of Chemical Engineering and Materials Science
  • Minnesota Supercomputing Institute for Advanced Computational Research
  • Department of Applied Physics and Applied Mathematics
  • Dept. of Earth and Environ. Sciences
  • Columbia University
  • Simons Foundation

External person

Y. G. Yoon

  • Princeton University

External person

Julio C. Facelli

  • University of Utah
  • Department of Biomedical Informatics
  • Center for High Performance Computing

External person

N. Colonna

  • Swiss Federal Institute of Technology Lausanne
  • Theory and Simulation of Materials (THEOS)

External person

John Sheats

  • Rider University

External person

D. Zanon

  • National Institute for Nuclear Physics
  • Polytechnic University of Milan
  • INFN
  • INFN
  • Istituto di Fisica dell'Università

External person

M. Haye

  • University of Geneva
  • Department of Condensed Matter Physics

External person

M. Breeman

  • University of Groningen
  • Nuclear Solid State Physics

External person

Gabriel I. Pagola

  • Universidad de Buenos Aires
  • Departamento de Física and Ifiba (CONICET)
  • Consejo Nacional de Investigaciones Científicas y Técnicas
  • Universidad de Buenos Aires

External person

G. Zito

  • National Institute for Nuclear Physics
  • University of Bari
  • CERN
  • Polytechnic University of Bari
  • University of Bologna
  • Institute for Research in Fundamental Sciences (IPM)
  • Tata Institute of Fundamental Research
  • INFN
  • INFN
  • Institute for Research for Fundamental Sciences

External person

Bingjia Yang

  • Princeton University

External person

Alexandra Parmentier

  • National Institute for Nuclear Physics

External person

Yao Wen Yeh

  • Princeton University
  • Princeton Institute for the Science and Technology of Materials
  • Department of Electrical Engineering
  • United States Department of Energy
  • Princeton Plasma Physics Laboratory
  • Rutgers - The State University of New Jersey, New Brunswick
  • Princeton Institute for Science and Technology of Materials

External person

Richard I. Cooper

  • Chemistry Research Laboratory
  • University of Oxford

External person

Anthony M. Reilly

  • Cambridge Crystallographic Data Centre
  • Cambridge Crystallographic Data Centre

External person

G. Minelli

  • National Institute for Nuclear Physics
  • University of Milan

External person

Peter J. Bygrave

  • University of Southampton
  • School of Chemistry

External person

Thomas Markovich

  • Forge.AI
  • Harvard University

External person

Constantinos C. Pantelides

  • Imperial College London
  • Department of Chemical Engineering
  • Ctr. for Process Systems Engineering

External person

A. D. Vita De

  • Swiss Federal Institute of Technology Lausanne
  • University of Trieste
  • Inst. Romand Rech. Numerique P.
  • INFM and Dipartimento di Ingegneria dei Materiali

External person

Osamu Sugino

  • Swiss Federal Institute of Technology Lausanne
  • NEC Corporation
  • Fundamental Research Laboratories
  • The University of Tokyo

External person

Vishali Mogallapu

  • University of North Carolina at Charlotte
  • Department of Electrical Engineering

External person

Erdal C. Oǧuz

  • Princeton University
  • Heinrich Heine University Düsseldorf
  • Tel Aviv University
  • Institut für Theoretische Physik II
  • Department of Chemistry
  • School of Mechanical Engineering
  • School of Mechanical Engineering and The Sackler Center for Computational Molecular and Materials Science

External person

David P. McMahon

  • University of Southampton
  • School of Chemistry

External person

Fabrizio Ferrari Ruffino

  • National Research Council of Italy

External person

D. B. Laks

  • IBM
  • IBM Zurich Research Laboratory
  • International School for Advanced Studies
  • Swiss Federal Institute of Technology Lausanne

External person

Christina Anna Gatsiou

  • Imperial College London
  • Department of Chemical Engineering

External person

Christopher R. Taylor

  • University of Southampton
  • School of Chemistry

External person

H. E. Fischer

  • Swiss Federal Institute of Technology Lausanne
  • Institut Laue-Langevin

External person

Guangming Cheng

  • Princeton University
  • North Carolina State University
  • Princeton Institute for Science and Technology of Materials

External person

Patrick McCabe

  • Cambridge Crystallographic Data Centre
  • Cambridge Crystallographic Data Centre

External person

Claire S. Adjiman

  • Imperial College London
  • Department of Chemical Engineering

External person

Guido Kreiner

  • Max Planck Institute for Chemical Physics of Solids

External person

F. McBride

  • University of Liverpool
  • Department of Chemistry

External person

Samuel M.L. Teicher

  • Materials Department and Materials Research Laboratory
  • University of California at Santa Barbara
  • Materials Department
  • University of California Santa Barbara

External person

Chao Tang

  • NEC Laboratories America, Inc.
  • University of California at San Francisco
  • Peking University
  • Center for Theoretical Biology
  • Department of Biopharmaceutical Sciences
  • Dept. of Biochemistry/Biophysics
  • California Institute for Quantitative Biosciences
  • NEC Corporation
  • California Institute for Quantitative Biosciences

External person

Chun Cai

  • AI for Science Institute
  • DP Technology

External person

T. Savage

  • Clemson University
  • Department of Physics

External person

A. M. Rao

  • Clemson University
  • Department of Physics

External person

Maxim Krivenkov

  • Helmholtz Centre Berlin for Materials and Energy
  • Elektronenspeicherring BESSY II

External person

R. Car

  • Materials Institute
  • Princeton University
  • Princeton Institute for the Science and Technology of Materials
  • Program in Applied and Computational Mathematics

External person

Sulin Zhang

  • Northwestern University
  • Department of Mechanical Engineering

External person

Junhan Chang

  • Peking University
  • DP Technology

External person

Riccardo Mazzarello

  • Swiss Federal Institute of Technology Zurich
  • Department of Chemistry and Applied Biosciences

External person

Josh E. Campbell

  • University of Southampton
  • School of Chemistry

External person

D. Rocca

  • Université de Lorraine
  • Universite Henri Poincare
  • CNRS

External person

M. Schlipf

  • University of Oxford
  • Department of Materials

External person

Marc A. Robert

  • Department of Chemical and Biomolecular Engineering
  • Rice University
  • Rice Quantum Institute
  • Richard E. Smalley Institute for Nanoscale Science and Technology
  • Department of Chemical and Biomolecular Engineering
  • Rice University

External person

Grace Sommers

  • Department of Physics
  • Princeton University

External person

Pinghui Mo

  • Hunan University

External person

Costantino Zazza

  • Consorzio Interuniversitario per le Applicazioni di Supercalcolo per Università e Ricerca
  • University of L'Aquila
  • Dipartimento di Chimica, Ingegneria Chimica e Materiali

External person

F. Besenbacher

  • Aarhus University
  • Institute of Physics and Astronomy

External person

George S. Schatz

  • Northwestern University
  • Argonne National Laboratory
  • Department of Chemistry
  • Chemistry Division
  • Department of Chemistry
  • Department of Chemistry
  • Argonne National Laboratory

External person

Andrew Canning

  • CRAY Research
  • Swiss Federal Institute of Technology Lausanne

External person

Chris J. Pickard

  • University of Cambridge
  • University College London
  • Theory of Condensed Matter (TCM) Group
  • Department of Materials Science and Metallurgy
  • Department of Physics and Astronomy

External person

Louise S. Price

  • University College London
  • Department of Chemistry

External person

Reha Mathur

  • Princeton University

External person

A. Cantore

  • Polytechnic University of Milan
  • National Institute for Nuclear Physics
  • INFN
  • Istituto di Fisica dell'Università

External person

Isaac J. Sugden

  • Imperial College London
  • Department of Chemical Engineering

External person

Wei Hu

  • Lawrence Berkeley National Laboratory
  • University of Science and Technology of China

External person

T. Thonhauser

  • Wake Forest University
  • Department of Physics

External person

De Ye Lin

  • CAEP
  • IAPCM
  • China Academy of Engineering Physics

External person

Marta B. Ferraro

  • Universidad de Buenos Aires
  • Departamento de Física and Ifiba (CONICET)
  • Consejo Nacional de Investigaciones Científicas y Técnicas
  • Universidad de Buenos Aires

External person

Sikai Yao

  • DP Technology

External person

Jonas Nyman

  • University of Southampton
  • School of Chemistry

External person

Karina Morgenstern

  • University of Lausanne
  • Institut de la Physique de la Matiére Condensée

External person

Xiaoru Chen

  • Washington State University Pullman
  • School of Molecular Biosciences

External person

Nicola Ferri

  • Fritz Haber Institute of the Max Planck Society

External person

M. Kawamura

  • Institute for Solid State Physics
  • The University of Tokyo

External person

Karina Morgenstern

  • University of Lausanne
  • Aarhus University
  • Inst. for Condensed Matter Physics
  • Institute of Physics and Astronomy

External person

Frank J.J. Leusen

  • University of Bradford
  • Faculty of Life Sciences

External person

Michele Casula

  • Sorbonne Université

External person

Qiyu Zeng

  • National University of Defense Technology

External person

Marija Matuska

  • University of California at San Francisco
  • Department of Biochemistry

External person

Zhenglu Li

  • University of California at Berkeley
  • Lawrence Berkeley National Laboratory

External person

Shaoping Xiao

  • University of Iowa
  • Dept. of Mech. and Indust. Eng.
  • Department of Civil and Environmental Engineering, University of Iowa

External person

Saswata Bhattacharya

  • Fritz Haber Institute of the Max Planck Society

External person

T. T.M. Vo

  • Rice University
  • Department of Chemical and Biomolecular Engineering
  • Department of Chemical and Biomolecular Engineering
  • Rice University

External person

Alexander Dzyabchenko

  • Karpov Institute of Physical Chemistry

External person

Wissam A. Saidi

  • University of Pittsburgh
  • Department of Mechanical Engineering and Materials Science

External person

Margarita Herrera-Alonson

  • Princeton University
  • Department of Chemical Engineering

External person

N. Vast

  • Commissariat à l’énergie atomique et aux énergies alternatives
  • ComUE Paris-Saclay
  • Université Paris-Saclay

External person

Noboru Takeuchi

  • International School for Advanced Studies
  • Abdus Salam International Centre for Theoretical Physics
  • Princeton University
  • University of Geneva
  • Universidad Nacional Autónoma de México
  • CCMC-UNAM
  • Max Planck Institute for Solid State Research
  • Laboratorio de Ensenada
  • Department of Chemistry
  • Department of Physical Chemistry
  • Centro de Nanociencias y Nanotecnología
  • Department of Chemistry
  • Administrative Headquarters of the Max Planck Society

External person

Ph Redlich

  • Max Planck Institute for Intelligent Systems

External person

Yinnian Lin

  • Peking University

External person