Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization-Reference-Cited by-同舟云学术

Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization

Published:2023-03-21 Issue:7 Volume:63 Page:1872-1881
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Müller Max¹,Hagg Alexander²^ORCID,Strickstrock Robin²^ORCID,Hülsmann Marco¹,Asteroth Alexander¹,Kirschner Karl N.¹^ORCID,Reith Dirk²³^ORCID

Affiliation:

1. Department of Computer Science, Bonn-Rhein-Sieg University of Applied Sciences, 53757 Sankt Augustin, Germany

2. Department of Electrical Engineering, Mechanical Engineering and Technical Journalism, Bonn-Rhein-Sieg University of Applied Sciences, 53757 Sankt Augustin, Germany

3. Fraunhofer Institute for Algorithms and Scientific Computing (SCAI), Schloss Birlinghoven, 53757 Sankt Augustin, Germany

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01231

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