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Deichmann, Gregor, Marcon, Valentina, van der Vegt, Nico F. A. (2014) Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method. The Journal of Chemical Physics, 141 (22). 224109pp. doi:10.1063/1.4903454

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Reference TypeJournal (article/letter/editorial)
TitleBottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method
JournalThe Journal of Chemical Physics
AuthorsDeichmann, GregorAuthor
Marcon, ValentinaAuthor
van der Vegt, Nico F. A.Author
Year2014 (December 14)Volume141
Issue22
PublisherAIP Publishing
DOIdoi:10.1063/1.4903454Search in ResearchGate
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Mindat Ref. ID2373521Long-form Identifiermindat:1:5:2373521:5
GUID0
Full ReferenceDeichmann, Gregor, Marcon, Valentina, van der Vegt, Nico F. A. (2014) Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method. The Journal of Chemical Physics, 141 (22). 224109pp. doi:10.1063/1.4903454
Plain TextDeichmann, Gregor, Marcon, Valentina, van der Vegt, Nico F. A. (2014) Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method. The Journal of Chemical Physics, 141 (22). 224109pp. doi:10.1063/1.4903454
In(2014, December) The Journal of Chemical Physics Vol. 141 (22) AIP Publishing

See Also

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Brini, Emiliano, Marcon, Valentina, van der Vegt, Nico F. A. (2011) Conditional reversible work method for molecular coarse graining applications. Physical Chemistry Chemical Physics, 13 (22). 10468pp. doi:10.1039/c0cp02888f
Deichmann, Gregor, van der Vegt, Nico F. A. (2018) Bottom-up approach to represent dynamic properties in coarse-grained molecular simulations. The Journal of Chemical Physics, 149 (24). 244114pp. doi:10.1063/1.5064369
Ardham, Vikram Reddy, Deichmann, Gregor, van der Vegt, Nico F. A., Leroy, Frédéric (2015) Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method. The Journal of Chemical Physics, 143 (24). 243135pp. doi:10.1063/1.4936253
Brini, E., van der Vegt, N. F. A. (2012) Chemically transferable coarse-grained potentials from conditional reversible work calculations. The Journal of Chemical Physics, 137 (15). 154113pp. doi:10.1063/1.4758936
Brini, Emiliano, Herbers, Claudia R., Deichmann, Gregor, van der Vegt, Nico F. A. (2012) Thermodynamic transferability of coarse-grained potentials for polymer–additive systems. Physical Chemistry Chemical Physics, 14 (34). 11896pp. doi:10.1039/c2cp40735c
Tripathy, Madhusmita, Klippenstein, Viktor, van der Vegt, Nico F. A. (2023) Dynamical coarse-grained models of molecular liquids and their ideal and non-ideal mixtures. The Journal of Chemical Physics, 159 (9) doi:10.1063/5.0163097
Deichmann, Gregor, Dallavalle, Marco, Rosenberger, David, van der Vegt, Nico F. A. (2019) Phase Equilibria Modeling with Systematically Coarse-Grained Models—A Comparative Study on State Point Transferability. The Journal of Physical Chemistry B, 123 (2). 504-515 doi:10.1021/acs.jpcb.8b07320
Klippenstein, Viktor, Wolf, Niklas, van der Vegt, Nico F. A. (2024) A Gauss–Newton method for iterative optimization of memory kernels for generalized Langevin thermostats in coarse-grained molecular dynamics simulations. The Journal of Chemical Physics, 160 (20) doi:10.1063/5.0203832
Trément, Sébastien, Schnell, Benoît, Petitjean, Laurent, Couty, Marc, Rousseau, Bernard (2014) Conservative and dissipative force field for simulation of coarse-grained alkane molecules: A bottom-up approach. The Journal of Chemical Physics, 140 (13). 134113pp. doi:10.1063/1.4870394
Trément, Sébastien, Schnell, Benoît, Petitjean, Laurent, Couty, Marc, Rousseau, Bernard (2014) Erratum: “Conservative and dissipative force field for simulation of coarse-grained alkane molecules: A bottom-up approach” [J. Chem. Phys. 140, 134113 (2014)]. The Journal of Chemical Physics, 140 (16). 169901pp. doi:10.1063/1.4872368
Taherian, Fereshte, Marcon, Valentina, van der Vegt, Nico F. A., Leroy, Frédéric (2013) What Is the Contact Angle of Water on Graphene?. Langmuir, 29. 1457-1465 doi:10.1021/la304645w
 
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