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M Gastegger

Showing results (1-10 of 4) with videos related to

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The Journal of Chemical Physics|July 2, 2018
wACSF-Weighted atom-centered symmetry functions as descriptors in machine learning potentialsM Gastegger, L Schwiedrzik, M Bittermann, et al.
The Journal of Chemical Physics|August 6, 2020
A deep neural network for molecular wave functions in quasi-atomic minimal basis representationM Gastegger, A McSloy, M Luya, et al.
Nature Communications|November 16, 2019
Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctionsK T Schütt, M Gastegger, A Tkatchenko, et al.
Journal of Chemical Theory and Computation|November 28, 2018
SchNetPack: A Deep Learning Toolbox For Atomistic SystemsK T Schütt, P Kessel, M Gastegger, et al.
Pageof 1

Showing results (1-10 of 4) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|July 2, 2018
wACSF-Weighted atom-centered symmetry functions as descriptors in machine learning potentialsM Gastegger, L Schwiedrzik, M Bittermann, et al.
The Journal of Chemical Physics|August 6, 2020
A deep neural network for molecular wave functions in quasi-atomic minimal basis representationM Gastegger, A McSloy, M Luya, et al.
Nature Communications|November 16, 2019
Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctionsK T Schütt, M Gastegger, A Tkatchenko, et al.
Journal of Chemical Theory and Computation|November 28, 2018
SchNetPack: A Deep Learning Toolbox For Atomistic SystemsK T Schütt, P Kessel, M Gastegger, et al.
Pageof 1