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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

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Reference TypeJournal (article/letter/editorial)
TitleConditional reversible work method for molecular coarse graining applications
JournalPhysical Chemistry Chemical Physics
AuthorsBrini, EmilianoAuthor
Marcon, ValentinaAuthor
van der Vegt, Nico F. A.Author
Year2011Volume13
Issue22
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c0cp02888fSearch in ResearchGate
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Mindat Ref. ID4015145Long-form Identifiermindat:1:5:4015145:6
GUID0
Full ReferenceBrini, 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
Plain TextBrini, 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
In(2011) Physical Chemistry Chemical Physics Vol. 13 (22) Royal Society of Chemistry (RSC)

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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
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
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
Dallavalle, Marco, van der Vegt, Nico F. A. (2017) Evaluation of mapping schemes for systematic coarse graining of higher alkanes. Physical Chemistry Chemical Physics, 19 (34). 23034-23042 doi:10.1039/c7cp03926c
Rosenberger, David, van der Vegt, Nico F. A. (2018) Addressing the temperature transferability of structure based coarse graining models. Physical Chemistry Chemical Physics, 20 (9). 6617-6628 doi:10.1039/c7cp08246k
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
Bernhardt, Marvin P., Hanke, Martin, van der Vegt, Nico F. A. (2021) Iterative integral equation methods for structural coarse-graining. The Journal of Chemical Physics, 154 (8) 84118pp. doi:10.1063/5.0038633
Fritz, Dominik, Koschke, Konstantin, Harmandaris, Vagelis A., van der Vegt, Nico F. A., Kremer, Kurt (2011) Multiscale modeling of soft matter: scaling of dynamics. Physical Chemistry Chemical Physics, 13 (22). 10412pp. doi:10.1039/c1cp20247b
Herbers, Claudia R., Johnston, Karen, van der Vegt, Nico F. A. (2011) Modelling molecule–surface interactions—an automated quantum-classical approach using a genetic algorithm. Physical Chemistry Chemical Physics, 13 (22). 10577pp. doi:10.1039/c0cp02889d
Marcon, Valentina, van der Vegt, Nico, Wegner, Gerhard, Raos, Guido (2006) Modeling of Molecular Packing and Conformation in Oligofluorenes. The Journal of Physical Chemistry B, 110 (11). 5253-5261 doi:10.1021/jp056858y
Rosenberger, David, van der Vegt, Nico F. A. (2019) Relative entropy indicates an ideal concentration for structure-based coarse graining of binary mixtures. Physical Review E, 99 (5) doi:10.1103/physreve.99.053308
 
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