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Found 2 papers, 2 papers with code
Unifying machine learning and quantum chemistry -- a deep neural network for molecular wavefunctions
Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations.
SchNetPack: A Deep Learning Toolbox For Atomistic Systems
SchNetPack is a toolbox for the development and application of deep neural networks to the prediction of potential energy surfaces and other quantum-chemical properties of molecules and materials.
Computational Physics Chemical Physics
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