Gaussian process model of 51-dimensional potential energy surface for protonated imidazole dimer-Reference-Cited by-同舟云学术

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Gaussian process model of 51-dimensional potential energy surface for protonated imidazole dimer

Published:2020-09-21 Issue:11 Volume:153 Page:114101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Sugisawa Hiroki¹²,Ida Tomonori²^ORCID,Krems R. V.¹³^ORCID

Affiliation:

1. Department of Chemistry, University of British Columbia, Vancouver, British Columbia V6T 1Z1, Canada

2. Division of Material Chemistry, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma, Kanazawa 920-1192, Japan

3. Stewart Blusson Quantum Matter Institute, University of British Columbia, Vancouver, British Columbia V6T 1Z4, Canada

Funder

Japan Society for the Promotion of Science

Natural Sciences and Engineering Research Council of Canada

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0023492

Reference79 articles.

1. Gaussian Process Model for Collision Dynamics of Complex Molecules

2. Bayesian machine learning for quantum molecular dynamics

3. Deep learning as optimal control problems: Models and numerical methods

4. Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach

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