Wolf2Pack -Portal based atomistic force-field development

Journal of Chemical Information and Modeling

Volumn 53, Issue 4, 2013, Pages 802-808

  Krämer Fuhrmann, Ottmar ^a   Neisius, Jens ^a   Gehlen, Niklas ^a   Reith, Dirk ^a,c   Kirschner, Karl N ^a,b  

^a Schloss Birlinghoven   (Germany)

^b FRAUNHOFER INSTITUTE FOR ALGORITHMS AND SCIENTIFIC COMPUTING SCAI   (Germany)

^c BONN RHEIN SIEG UNIVERSITY OF APPLIED SCIENCES   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; CHEMISTRY;

CHEMICAL SYSTEMS; FORCE FIELD DEVELOPMENT; FORCE FIELDS; HUMAN ERRORS; MOLECULAR DATABASE; PARAMETER OPTIMIZATION; USER DRIVEN; WORKFLOW PACKAGE;

DEGREES OF FREEDOM (MECHANICS);

ARTICLE; CHEMICAL DATABASE; CHEMICAL STRUCTURE; COMPUTER PROGRAM; INTERNET; THERMODYNAMICS;

DATABASES, CHEMICAL; INTERNET; MODELS, MOLECULAR; SOFTWARE; THERMODYNAMICS;

EID: 84876551444     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300290g     Document Type: Article

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