793 citations · 1.2k across the 7 of their papers we have counts for
Showing cs.LGShow all
2 papers · 1 filter
cs.LG2024★ 4 cited
Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
Yi-Lun Liao, Tess Smidt, Muhammed Shuaibi +1
Understanding the interactions of atoms such as forces in 3D atomistic systems is fundamental to many applications like molecular dynamics and catalyst design. However, simulating…
cs.LG2021★ 51 cited
Rotation Invariant Graph Neural Networks using Spin Convolutions
Muhammed Shuaibi, Adeesh Kolluru, Abhishek Das +4
Progress towards the energy breakthroughs needed to combat climate change can be significantly accelerated through the efficient simulation of atomic systems. Simulation techniques…