K. T. Schütt | DeepAI

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Featured Co-authors

M. Gastegger
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A. Tkatchenko
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research

∙ 05/11/2020

A deep neural network for molecular wave functions in quasi-atomic minimal basis representation

The emergence of machine learning methods in quantum chemistry provides ...

9 M. Gastegger, et al. ∙

research

∙ 06/24/2019

Unifying machine learning and quantum chemistry -- a deep neural network for molecular wavefunctions

Machine learning advances chemistry and materials science by enabling la...

23 K. T. Schütt, et al. ∙