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Ab initio generalized Langevin equation
Pinchen Xie
,
Roberto Car
, E. Weinan
Chemistry
Physics
Princeton Institute for Computational Science and Engineering
Princeton Materials Institute
Research output
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Contribution to journal
›
Article
›
peer-review
19
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Keyphrases
Ab Initio Simulations
25%
Absorption Frequency
25%
Atomistic Simulation
25%
Collective Variables
50%
Deep Molecular Response
25%
Density Functional Theory
25%
Driving Dynamics
25%
Dynamic Density
25%
Electric Dipole
25%
Electron Density
25%
Far-infrared Absorption
25%
Ferroelectric Domain Walls
25%
Field-assisted
25%
Fluctuation-dissipation Theorem
25%
Force Field
25%
Generalized Langevin Equation
100%
Lead Titanate
25%
Local Approximation
25%
Machine Learning Approach
25%
Memory Kernel
50%
Mesoscale Processes
25%
Microscopic Dynamics
25%
Molecular Dynamics
50%
Molecular Electronics
25%
Mori-Zwanzig Formalism
25%
Multiscale Modeling
25%
Noise Correlation
25%
Noise Generator
25%
Order of Magnitude
25%
Quantum Mechanical Model
25%
Range Noise
25%
Simulation-based
25%
Material Science
Ab Initio Simulation
100%
Density
100%
Domain Wall
100%
Ferroelectric Material
100%
Titanate
100%
Physics
Density Functional Theory
25%
Domain Wall
25%
Ferroelectric Material
25%
Field Theory (Physics)
25%
Infrared Absorption
25%
Langevin Equation
100%
Machine Learning
25%
Molecular Dynamics
75%
Noise Generator
25%
Titanates
25%
Chemistry
Atomistic Simulation
25%
Density Functional Theory
25%
electronics
25%
Ferroelectric Domain
25%
Fluctuation-Dissipation Theorem
25%
Langevin Equation
100%
Molecular Dynamics
75%