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01/02/2022
Super-resolution in Molecular Dynamics Trajectory Reconstruction with Bi-Directional Neural Networks
Molecular dynamics simulations are a cornerstone in science, allowing to...
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06/08/2021
BIGDML: Towards Exact Machine Learning Force Fields for Materials
Machine-learning force fields (MLFF) should be accurate, computationally...
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05/01/2021
SpookyNet: Learning Force Fields with Electronic Degrees of Freedom and Nonlocal Effects
In recent years, machine-learned force fields (ML-FFs) have gained incre...
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10/14/2020
Machine Learning Force Fields
In recent years, the use of Machine Learning (ML) in computational chemi...
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06/26/2017