most citedImproved Ab Initio Molecular Dynamics by Minimal Biasing with Experimental Data

22 citations · 22 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2016★ 22 cited

Improved Ab Initio Molecular Dynamics by Minimal Biasing with Experimental Data

Andrew D. White, Chris Knight, Glen M. Hocky +1

Accounting for electrons and nuclei simultaneously is a powerful capability of ab initio molecular dynamics (AIMD). However, AIMD is often unable to accurately reproduce properties…