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Wolf(2)Pack and GROW: Software-enhanced automated force field parameterization
(2012)
Reith, Dirk
;
Huelsmann, Marco
;
Kirschner, Karl N.
Optimizing molecular models through force-field parameterization
(2016)
Kirschner, Karl
;
Huelsmann, Marco
;
Kraemer, Andreas
;
Kraemer-Fuhrmann, Ottmar
;
Reith, Dirk
Optimizing Lennard-Jones parameters by coupling nano- and macroscale target data using user-guided numerical algorithms
(2019)
Strickstrock, Robin
;
Huelsmann, Marco
;
Reith, Dirk
;
Kirschner, Karl
Global optimization techniques utilized to generate new accurate VLE force fields for ethylene oxide as a test case
(2013)
Kraemer, Andreas
;
Huelsmann, Marco
;
Vrabec, Jadran
;
Reith, Dirk
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