WACSF - Weighted Atom-Centered Symmetry Functions as Descriptors in
Machine Learning Potentials

WACSF - Weighted Atom-Centered Symmetry Functions as Descriptors in Machine Learning Potentials

15 December 2017

Ludwig Schwiedrzik

Marius Bittermann

Florian Berzsenyi

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Papers citing "WACSF - Weighted Atom-Centered Symmetry Functions as Descriptors in Machine Learning Potentials"

17 / 17 papers shown

Title
A practical guide to machine learning interatomic potentials -- Status and future Ryan Jacobs D. Morgan Siamak Attarian Jun Meng Chen Shen ... K. J. Schmidt So Takamoto Aidan Thompson Julia Westermayr Brandon M. Wood 113 9 0 12 Mar 2025
Pre-training Graph Neural Networks with Structural Fingerprints for Materials Discovery Shuyi Jia Shitij Govil Manav Ramprasad Victor Fung AI4CE 169 1 0 03 Mar 2025
Lifelong Machine Learning Potentials Marco Eckhoff Markus Reiher 113 24 0 10 Mar 2023
Tensor-reduced atomic density representations James P. Darby D. P. Kovács Ilyes Batatia M. A. Caro G. Hart Christoph Ortner Gábor Csányi 131 33 0 02 Oct 2022
Lagrangian Density Space-Time Deep Neural Network Topology B. Bishnoi PINN 75 1 0 30 Jun 2022
Quantum neural networks force fields generation Oriel Kiss F. Tacchino S. Vallecorsa I. Tavernelli AI4CE 65 20 0 09 Mar 2022
SpookyNet: Learning Force Fields with Electronic Degrees of Freedom and Nonlocal Effects Oliver T. Unke Stefan Chmiela M. Gastegger Kristof T. Schütt H. E. Sauceda K. Müller 234 255 0 01 May 2021
Machine Learning Force Fields Oliver T. Unke Stefan Chmiela H. E. Sauceda M. Gastegger I. Poltavsky Kristof T. Schütt A. Tkatchenko K. Müller AI4CE 141 940 0 14 Oct 2020
Machine learning for electronically excited states of molecules Julia Westermayr P. Marquetand 71 266 0 10 Jul 2020
Machine learning and excited-state molecular dynamics Julia Westermayr P. Marquetand AI4CE 58 56 0 28 May 2020
Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning Marcel F. Langer Alex Goessmann M. Rupp AI4CE 73 99 0 26 Mar 2020
DScribe: Library of Descriptors for Machine Learning in Materials Science Lauri Himanen M. Jäger Eiaki V. Morooka F. F. Canova Y. S. Ranawat D. Gao Patrick Rinke A. Foster 61 591 0 18 Apr 2019
Molecular Dynamics with Neural-Network Potentials M. Gastegger P. Marquetand AI4CE 31 22 0 18 Dec 2018
Learning representations of molecules and materials with atomistic neural networks Kristof T. Schütt A. Tkatchenko K. Müller NAI 45 13 0 11 Dec 2018
Compressing physical properties of atomic species for improving predictive chemistry John E. Herr Kevin J Koh Kun Yao John A. Parkhill AI4CE 55 20 0 31 Oct 2018
Quantum-chemical insights from interpretable atomistic neural networks Kristof T. Schütt M. Gastegger A. Tkatchenko K. Müller AI4CE 86 32 0 27 Jun 2018
Solid Harmonic Wavelet Scattering for Predictions of Molecule Properties Michael Eickenberg Georgios Exarchakis M. Hirn S. Mallat L. Thiry 79 71 0 01 May 2018