294 citations · 1.1k across the 67 of their papers we have counts for
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cs.CE2022★ 11 cited
Metaball-Imaging Discrete Element Lattice Boltzmann Method for fluid-particle system of complex morphologies with settling case study
Yifeng Zhao, Pei Zhang, Liang Lei +2
Fluid-particle systems are highly sensitive to particle morphologies. While many attempts have been made on shape descriptors and coupling schemes, how to simulate the particle-par…
cs.CE2022★ 2 cited
DiffMD: A Geometric Diffusion Model for Molecular Dynamics Simulations
Fang Wu, Stan Z. Li
Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to acce…
cs.CE2022★ 42 cited
Pre-training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding
Fang Wu, Shuting Jin, Yinghui Jiang +7
The latest biological findings observe that the traditional motionless 'lock-and-key' theory is not generally applicable because the receptor and ligand are constantly moving. None…