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SHARP pack: A modular software for incorporating nuclear quantum effects into non-adiabatic dynamics simulations[Formula presented]
Dil K. Limbu,
Farnaz A. Shakib
Chemistry and Environmental Science
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Dive into the research topics of 'SHARP pack: A modular software for incorporating nuclear quantum effects into non-adiabatic dynamics simulations[Formula presented]'. Together they form a unique fingerprint.
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Keyphrases
Modular Software
100%
Nuclear Quantum Effects
100%
Ring Polymer
100%
Nonadiabatic Dynamics
100%
Surface Hopping
66%
Molecular Dynamics Simulation
33%
Reaction Conditions
33%
Parallelizing
33%
Modular Structure
33%
Richard Feynman
33%
Modular Architecture
33%
Polymer Surface
33%
Extended Phase Space
33%
Path Integral Formalism
33%
Classical Ring
33%
Polymer Package
33%
Imaginary-time Path Integral
33%
Chemistry
Molecular Dynamics
100%
Phase Space
100%
Computer Simulation
100%
Path Integral
100%
Engineering
Computer Simulation
100%
Quantum Effect
100%
Phase Space
50%
Dynamic Method
50%
Polymer Surface
50%
Computer Science
Molecular Dynamics Simulation
100%
Dynamic Method
100%
Modular Architecture
100%
Physics
Molecular Dynamics
100%
Earth and Planetary Sciences
Dynamic Simulation
100%