170 citations · 395 across the 13 of their papers we have counts for
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physics.chem-ph2023★ 1 cited
Learning Interatomic Potentials at Multiple Scales
Xiang Fu, Albert Musaelian, Anders Johansson +2
The need to use a short time step is a key limit on the speed of molecular dynamics (MD) simulations. Simulations governed by classical potentials are often accelerated by using a…
physics.chem-ph2023★ 15 cited
MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design
Xiang Fu, Tian Xie, Andrew S. Rosen +2
Metal-organic frameworks (MOFs) are of immense interest in applications such as gas storage and carbon capture due to their exceptional porosity and tunable chemistry. Their modula…