203 citations · 278 across the 25 of their papers we have counts for
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physics.comp-ph2024★ 4 cited
Thermodynamically Informed Multimodal Learning of High-Dimensional Free Energy Models in Molecular Coarse Graining
Blake R. Duschatko, Xiang Fu, Cameron Owen +4
We present a differentiable formalism for learning free energies that is capable of capturing arbitrarily complex model dependencies on coarse-grained coordinates and finite-temper…
physics.comp-ph2024★ 4 cited
A Recipe for Charge Density Prediction
Xiang Fu, Andrew Rosen, Kyle Bystrom +5
In density functional theory, charge density is the core attribute of atomic systems from which all chemical properties can be derived. Machine learning methods are promising in si…