793 citations · 1.7k across the 34 of their papers we have counts for
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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…
physics.chem-ph2021★ 9 cited
Computational catalyst discovery: Active classification through myopic multiscale sampling
Kevin Tran, Willie Neiswanger, Kirby Broderick +3
The recent boom in computational chemistry has enabled several projects aimed at discovering useful materials or catalysts. We acknowledge and address two recurring issues in the f…