239 citations · 642 across the 12 of their papers we have counts for
Showing 2021 · physics.comp-phShow all
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physics.comp-ph2021★ 26 cited
Lettuce: PyTorch-based Lattice Boltzmann Framework
Mario Christopher Bedrunka, Dominik Wilde, Martin Kliemank +3
The lattice Boltzmann method (LBM) is an efficient simulation technique for computational fluid mechanics and beyond. It is based on a simple stream-and-collide algorithm on Cartes…
physics.comp-ph2021★ 74 cited
Machine Learning Implicit Solvation for Molecular Dynamics
Yaoyi Chen, Andreas Krämer, Nicholas E. Charron +3
Accurate modeling of the solvent environment for biological molecules is crucial for computational biology and drug design. A popular approach to achieve long simulation time scale…