Skip to main content Accessibility information

Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(4)

Keywords

Authors

Chenghan Li

4 results in Authors: Chenghan Li

Theoretical and Computational Chemistry

Accurate and Transferable Reactive Molecular Dynamics Models from Constrained Density Functional Theory

Chenghan Li, Gregory A. Voth

261

Downloads

Theoretical and Computational Chemistry

Using Constrained Density Functional Theory to Track Proton Transfers and to Sample Their Associated Free Energy Surface

Gregory Voth, Chenghan Li

257

Downloads

Theoretical and Computational Chemistry

Using Machine Learning to Greatly Accelerate Path Integral Ab Initio Molecular Dynamics

Chenghan Li, Gregory A. Voth

252

Downloads

Theoretical and Computational Chemistry

Static and Dynamic Statistical Correlations in Water: Comparison of Classical Ab Initio Molecular Dynamics at Elevated Temperature With Path Integral Simulations at Ambient Temperature

Chenghan Li, Francesco Paesani, Gregory A. Voth

563

Downloads

TECHNOLOGY PROVIDED BY