Multi-scale approach for the prediction of atomic scale properties

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Multi-scale approach for the prediction of atomic scale properties

27 August 2020

Michele Ceriotti

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Papers citing "Multi-scale approach for the prediction of atomic scale properties"

11 / 11 papers shown

Title
Wavelet Scattering Networks for Atomistic Systems with Extrapolation of Material Properties Paul Sinz M. Swift Xavier Brumwell Jialin Liu K. Kim Y. Qi M. Hirn 37 12 0 01 Jun 2020
Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles M. Veit D. Wilkins Yang Yang R. DiStasio Michele Ceriotti 53 92 0 27 Mar 2020
Deep neural network solution of the electronic Schrödinger equation J. Hermann Zeno Schätzle Frank Noé 242 457 0 16 Sep 2019
Feature Optimization for Atomistic Machine Learning Yields A Data-Driven Construction of the Periodic Table of the Elements M. J. Willatt Félix Musil Michele Ceriotti 40 50 0 30 Jun 2018
Solid Harmonic Wavelet Scattering for Predictions of Molecule Properties Michael Eickenberg Georgios Exarchakis M. Hirn S. Mallat L. Thiry 62 70 0 01 May 2018
Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics Linfeng Zhang Jiequn Han Han Wang R. Car E. Weinan 72 1,158 0 30 Jul 2017
Deep learning and the Schrödinger equation Kyle Mills M. Spanner Isaac Tamblyn 61 140 0 05 Feb 2017
By-passing the Kohn-Sham equations with machine learning Felix Brockherde Leslie Vogt Li Li M. Tuckerman K. Burke K. Müller AI4CE 78 607 0 09 Sep 2016
Wavelet Scattering Regression of Quantum Chemical Energies M. Hirn S. Mallat N. Poilvert 61 95 0 16 May 2016
Finding Density Functionals with Machine Learning John C. Snyder M. Rupp K. Hansen K. Müller K. Burke 132 477 0 22 Dec 2011
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning M. Rupp A. Tkatchenko K. Müller O. A. von Lilienfeld AI4CE 203 1,592 0 12 Sep 2011