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Roberto Car

  • 55560 Citations
  • 91 h-Index
1975 …2020

Research output per year

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Projects

Computational Chemical Science Center: Chemistry in Solution and at Interfaces

Car, R.

DOE - Washington

9/15/18 → 9/14/22

Project: Research project

Electronic Structure Theory and Novel Materials

Car, R.

DOE - Washington

9/1/17 → 5/31/21

Project: Research project

    • Predictive Computing for Condensed Matter

    Car, R.

    DOE - Chicago

    9/1/12 → 8/31/17

    Project: Research project

    Advanced Modeling of Ions in Solutions, on Surfaces, and in Biological Environments

    Car, R.

    DOE - Washington

    9/1/12 → 8/31/17

    Project: Research project

    • MRI: Acquisition of a Shared Memory High Performance Computer for Modeling and Data Analysis in the Mathematical and Physical Sciences

    Car, R.

    NSF - National Science Foundation

    8/15/11 → 7/31/13

    Project: Research project

    • Research Output

    Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance

    Ko, H. Y., Ko, H. Y., Jia, J., Santra, B., Santra, B., Wu, X., Car, R., Car, R. & Distasio, R. A., Jun 9 2020, In : Journal of Chemical Theory and Computation. 16, 6, p. 3757-3785 29 p.

    Research output: Contribution to journal › Article

    • 1 Scopus citations

    Free energy of proton transfer at the water-TiO2 interface from: ab initio deep potential molecular dynamics

    Andrade, M. F. C., Ko, H. Y., Zhang, L., Car, R. & Selloni, A., Mar 7 2020, In : Chemical Science. 11, 9, p. 2335-2341 7 p.

    Research output: Contribution to journal › Article

    Open Access
    • 3 Scopus citations

    Phase equilibrium of liquid water and hexagonal ice from enhanced sampling molecular dynamics simulations

    Piaggi, P. M. & Car, R., May 29 2020, In : The Journal of chemical physics. 152, 20, 1 p.

    Research output: Contribution to journal › Article

    Open Access

    • Quantum ESPRESSO toward the exascale

    Giannozzi, P., Baseggio, O., Bonfà, P., Brunato, D., Car, R., Carnimeo, I., Cavazzoni, C., De Gironcoli, S., Delugas, P., Ferrari Ruffino, F., Ferretti, A., Marzari, N., Timrov, I., Urru, A. & Baroni, S., Apr 21 2020, In : Journal of Chemical Physics. 152, 15, 154105.

    Research output: Contribution to journal › Article

    • Quantum momentum distribution and quantum entanglement in the deep tunneling regime

    Wu, Y. & Car, R., Jan 14 2020, In : Journal of Chemical Physics. 152, 2, 024106.

    Research output: Contribution to journal › Article