25 citations · 39 across the 5 of their papers we have counts for
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physics.chem-ph2022★ 5 cited
Cracking the Quantum Scaling Limit with Machine Learned Electron Densities
Joshua A. Rackers, Lucas Tecot, Mario Geiger +1
A long-standing goal of science is to accurately solve the Schrödinger equation for large molecular systems. The poor scaling of current quantum chemistry algorithms on classical c…
physics.chem-ph2021★ 25 cited
SE(3)-equivariant prediction of molecular wavefunctions and electronic densities
Oliver T. Unke, Mihail Bogojeski, Michael Gastegger +3
Machine learning has enabled the prediction of quantum chemical properties with high accuracy and efficiency, allowing to bypass computationally costly ab initio calculations. Inst…