A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field

Mike Devereux; Nohad Gresh; Jean-Philip Piquemal; Markus Meuwly

A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field

Mike Devereux ¹ Nohad Gresh ² Jean-Philip Piquemal ³ Markus Meuwly ¹

1 Department of Chemistry, University of Basel

2 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire

3 LCT - Laboratoire de chimie théorique

Document type :

Journal articles

Domain :

Chemical Sciences / Theoretical and/or physical chemistry

Complete list of metadatas

https://hal.archives-ouvertes.fr/hal-02126862
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 6:58:19 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field

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A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field

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