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Search Results - "Lennard–Jones parameters"
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Speed up Multi‐Scale Force‐Field Parameter Optimization by Substituting Molecular Dynamics Calculations with a Machine Learning Surrogate Model
by
Strickstrock, Robin
,
Hagg, Alexander
,
Reith, Dirk
,
Kirschner, Karl N.
Published in
Chemphyschem
(05.09.2025)
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Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force field
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Vergadou, Niki
,
Androulaki, Eleni
,
Hill, Jörg-Rüdiger
,
Economou, Ioannis G
Published in
Physical chemistry chemical physics : PCCP
(07.03.2016)
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Revisiting the droplet simulation approach to derive force-field parameters for water on molybdenum disulfide from wetting angle measurements
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Leroy, Frédéric
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The Journal of chemical physics
(28.10.2016)
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Crystal lattice properties fully determine short-range interaction parameters for alkali and halide ions
by
Mao, Albert H.
,
Pappu, Rohit V.
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The Journal of chemical physics
(14.08.2012)
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CHARMM additive and polarizable force fields for biophysics and computer-aided drug design
by
Vanommeslaeghe, K.
,
MacKerell, A.D.
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Biochimica et biophysica acta
(01.05.2015)
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Static and Restricted Rigid Rotor Configurations of Three Classical 12-6-Lennard-Jones Particles
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Rupp, Florian
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Few-body systems
(01.03.2015)
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Crystal lattice properties fully determine short-range interaction parameters for alkali and halide ions
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Mao, Albert H
,
Pappu, Rohit V
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arXiv.org
(17.08.2012)
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Electrochemical compatibilizer and hydrophobic wetting agent for fiber reinforced vinyl esters and related thermosets
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PETERSEN RICHARD C
Year of Publication
22.12.2005
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