872 citations · 2.9k across the 35 of their papers we have counts for
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physics.comp-ph2020★ 7 cited
Simple and efficient algorithms for training machine learning potentials to force data
Justin S. Smith, Nicholas Lubbers, Aidan P. Thompson +1
Abstract Machine learning models, trained on data from ab initio quantum simulations, are yielding molecular dynamics potentials with unprecedented accuracy. One limiting factor is…
physics.comp-ph2020★ 48 cited
Embedding Hard Physical Constraints in Neural Network Coarse-Graining of 3D Turbulence
Arvind T. Mohan, Nicholas Lubbers, Daniel Livescu +1
In the recent years, deep learning approaches have shown much promise in modeling complex systems in the physical sciences. A major challenge in deep learning of PDEs is enforcing…