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Optimizing molecular models through force-field parameterization
(2016)
Kirschner, Karl
;
Huelsmann, Marco
;
Kraemer, Andreas
;
Kraemer-Fuhrmann, Ottmar
;
Reith, Dirk
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
Comparison and optimization of fixed-point charge and polarizable force fields for the simulation of water-alkane systems
(2017)
Kraemer, Andreas
;
Pickard, Frank
;
Huang, Jing
;
Venable, Richard
;
Reith, Dirk
;
Kirschner, Karl
;
Pastor, Richard
;
Brooks, Bernard
Cubature Rules for Off-Lattice Boltzmann Methods in Two and Three Dimensions
(2020)
Wilde, Dominik
;
Kraemer, Andreas
;
Bedrunka, Mario
;
Reith, Dirk
;
Foysi, Holger
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