Reproducing Quantum Probability Distributions at the Speed of Classical Dynamics: A New Approach for Developing Force-Field Functors

Authors: Vikram Sundar, David Gelbwaser-Klimovsky and Alán Aspuru-Guzik

Published on: JPCL 9, 1721 (2018)

Key Question:

How to include quantum effects in molecular dynamics simulations?

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