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20092019
most citedDeep Neural Network Computes Electron Densities and Energies of a Large Set of Organic Molecules Faster than Density Functional Theory (DFT)

36 citations · 75 across the 6 of their papers we have counts for

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physics.chem-ph2019★ 4 cited

Physical machine learning outperforms "human learning" in Quantum Chemistry

Anton V. Sinitskiy, Vijay S. Pande

Two types of approaches to modeling molecular systems have demonstrated high practical efficiency. Density functional theory (DFT), the most widely used quantum chemical method, is…