295 citations · 317 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2016★ 295 cited
On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice
Sandeep K. Reddy, Shelby C. Straight, Pushp Bajaj +7
The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. In this study, the accuracy of MB-pol…
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…