Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface

Classical empirical potentials/force-fields (FF) provide atomistic insights into material phenomena through molecular dynamics and Monte Carlo simulations. Despite their wide applicability, a systematic evaluation of materials properties using such potentials and, especially, an easy-to-use user-int...

Fuld beskrivelse

Na minha lista:
Bibliografiske detaljer
Udgivet i:Sci Data
Main Authors: Choudhary, Kamal, Congo, Faical Yannick P., Liang, Tao, Becker, Chandler, Hennig, Richard G., Tavazza, Francesca
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group 2017
Fag:
Data Descriptor
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5283064/
https://ncbi.nlm.nih.gov/pubmed/28140407
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/sdata.2016.125
Tags: Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!

Lignende værker