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Chenghan Li

4 results in Authors: Chenghan Li

Theoretical and Computational Chemistry

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

Chenghan Li, Gregory A. Voth

326

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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

603

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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

298

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Theoretical and Computational Chemistry

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

Chenghan Li, Gregory A. Voth

238

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ISSN 2573-2293 (Online)