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Gaussian Moments as Physically Inspired Molecular Descriptors for Accurate and Scalable Machine Learning Potentials

V. Zaverkin, and J. Kästner. J. Chem. Theory Comput., (2020)
DOI: 10.1021/acs.jctc.0c00347

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V. Zaverkin

Viktor Zaverkin University of Stuttgart

V. Vaikuntanathan

Michael P. Voigt Universität Stuttgart

Wolfgang Vogel

Other publications of authors with the same name

Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian MomentsV. Zaverkin, J. Kästner, D. Holzmüller, and I. Steinwart. J. Chem. Theory Comput., (2021)https://arxiv.org/abs/2002.04861.Binding energies and sticking coefficients of H2 on crystalline and amorphous CO iceMolpeceres, G., Zaverkin, V., Watanabe, N., and Kästner, J.. A&A, (2021)Exploration of transferable and uniformly accurate neural network interatomic potentials using optimal experimental designV. Zaverkin, and J. Kästner. Mach. Learn.: Sci. Technol., (2021)Tunnelling dominates the reactions of hydrogen atoms with unsaturated alcohols and aldehydes in the dense mediumV. Zaverkin, T. Lamberts, M. Markmeyer, and J. Kaestner. Astronomy & Astrophysics, (2018)Reaction dynamics on amorphous solid water surfaces using interatomic machine-learned potentials - Microscopic energy partition revealed from the P + H → PH reactionMolpeceres, G., Zaverkin, V., Furuya, K., Aikawa, Y., and Kästner, J.. Astronomy & Astrophysics, (2023)Binding energies and sticking coefficients of H₂ on crystalline and amorphous CO iceG. Molpeceres, V. Zaverkin, N. Watanabe, and J. Kästner. Astron. Astrophys., (2021)Gaussian Moments as Physically Inspired Molecular Descriptors for Accurate and Scalable Machine Learning PotentialsV. Zaverkin, and J. Kästner. J. Chem. Theory Comput., (2020)

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Disambiguation of "Zaverkin, V."

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Gaussian Moments as Physically Inspired Molecular Descriptors for Accurate and Scalable Machine Learning Potentials

Please choose a person to relate this publication to

V. Zaverkin

Viktor Zaverkin University of Stuttgart

V. Vaikuntanathan

Michael P. Voigt Universität Stuttgart

Wolfgang Vogel

Other publications of authors with the same name

Disambiguation

PUMA

Disambiguation of "Zaverkin, V."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Gaussian Moments as Physically Inspired Molecular Descriptors for Accurate and Scalable Machine Learning Potentials

Please choose a person to relate this publication to

V. Zaverkin

Viktor Zaverkin University of Stuttgart

V. Vaikuntanathan

Michael P. Voigt Universität Stuttgart

Wolfgang Vogel

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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URL
DOI
BibTeX
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Chicago
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Gaussian Moments as Physically Inspired Molecular Descriptors for Accurate and Scalable Machine Learning Potentials