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Presentation . 2019
License: CC BY
Data sources: Datacite
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ZENODO
Presentation . 2019
License: CC BY
Data sources: Datacite
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Other literature type . 2019
License: CC BY
Data sources: ZENODO
https://dx.doi.org/10.5281/zen...
Other literature type
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https://dx.doi.org/10.5281/zen...
Other literature type
Data sources: Microsoft Academic Graph
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Parameterization perspective I: Parameter optimization methodology

descriptionPublicationkeyboard_double_arrow_right Presentation , Other literature type 11 Sep 2019Publisher:Zenodo
Authors: Wang, Lee Ping;

doi: 10.5281/zenodo.3405538 , 10.5281/zenodo.3405539

Parameterization perspective I: Parameter optimization methodology

Abstract

Lee-Ping Wang presents optimization techniques used in ForceBalance to produce the first optimized OpenFF force field (Parsley) using experimental and QM data in the fitting procedure. The first parameterization sprint included multiple fitting rounds of valence and torsional parameters. The uploaded material includes presentation slides and video.

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This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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