Open AccessAnalyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Author(s) -
Razvan Caracas,
Anaïs Kobsch,
Natalia Solomatova,
Zhi Li,
François Soubiran,
JeanAlexis Hernandez
Publication year - 2021
Publication title -
journal of visualized experiments
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.596
H-Index - 91
ISSN - 1940-087X
DOI - 10.3791/61534-v
Subject(s) - python (programming language) , scripting language , computer science , molecular dynamics , computational science , ab initio , statistical physics , computation , chemistry , physics , computational chemistry , algorithm , programming language , organic chemistry
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom