Zobrazeno 1 - 9
of 9
pro vyhledávání: '"José G Solano"'
Autor:
Alfonso Arribas, Guiomar Garrido, César Viseras, Jesús M Soria, Sila Pla, José G Solano, Miguel Garcés, Elisabet Beamud, José S Carrión
Publikováno v:
PLoS ONE, Vol 4, Iss 9, p e7127 (2009)
BACKGROUND:Over the last decades, there has been an increasing interest on the chronology, distribution and mammal taxonomy (including hominins) related with the faunal turnovers that took place around the Pliocene-Pleistocene transition [ca. 1.8 meg
Externí odkaz:
https://doaj.org/article/b6c5a917895e4d22adc3c9c83ffdd6b6
Autor:
Florent Goujon, Sébastien Garruchet, Germain Clavier, Patrice Malfreyt, Benoit Latour, Alain Dequidt, Julien Devémy, Etienne Munch, José G. Solano Canchaya, Ronald Blaak, Nicolas Martzel
Publikováno v:
Physical Review E
Physical Review E, 2021, 104 (2), pp.024501. ⟨10.1103/PhysRevE.104.024501⟩
Physical Review E, 2021, 104 (2), pp.024501. ⟨10.1103/PhysRevE.104.024501⟩
International audience; We employ a recently derived semirealistic set of coarse-grained interactions to simulate polymer brushes of cis-1,4-polybutadiene grafted on a cuprous-oxide surface within the framework of dissipative particle dynamics. We co
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Publikováno v:
Journal of Chemical Physics; 2016, Vol. 145 Issue 5, p054107-1-054107-8, 8p, 1 Chart, 8 Graphs
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Autor:
Benoit Schnell, Etienne Munch, Julien Devémy, José G. Solano Canchaya, Ronald Blaak, Nicolas Seeboth, Sébastien Garruchet, Benoit Latour, Nicolas Martzel, Florent Goujon, Alain Dequidt, Patrice Malfreyt
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2019, 151 (6), pp.064703. ⟨10.1063/1.5115148⟩
Journal of Chemical Physics, 2019, 151 (6), pp.064703. ⟨10.1063/1.5115148⟩
Journal of Chemical Physics, American Institute of Physics, 2019, 151 (6), pp.064703. ⟨10.1063/1.5115148⟩
Journal of Chemical Physics, 2019, 151 (6), pp.064703. ⟨10.1063/1.5115148⟩
We present a coarse-grained model for using dissipative particle dynamics simulations to study the interaction between cis-1,4 polybutadiene polymer chains and a metal oxide (Cu2O) surface at the mesoscopic scale. We employ a bottom-up approach in or
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2016, 145, pp.054107. ⟨10.1063/1.4960114⟩
Journal of Chemical Physics, 2016, 145, pp.054107. ⟨10.1063/1.4960114⟩
Journal of Chemical Physics, American Institute of Physics, 2016, 145, pp.054107. ⟨10.1063/1.4960114⟩
Journal of Chemical Physics, 2016, 145, pp.054107. ⟨10.1063/1.4960114⟩
International audience; A new Bayesian method was recently introduced for developing coarse-grain (CG) force fields for molecular dynamics. The CG models designed for dissipative particle dynamics (DPD) are optimized based on trajectory matching. Her
Autor:
José G. Solano Canchaya, Alain Dequidt
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, 2015, 143, pp.084122. ⟨10.1063/1.4929557⟩
Journal of Chemical Physics, American Institute of Physics, 2015, 143, pp.084122. ⟨10.1063/1.4929557⟩
Journal of Chemical Physics, 2015, 143, pp.084122. ⟨10.1063/1.4929557⟩
Journal of Chemical Physics, American Institute of Physics, 2015, 143, pp.084122. ⟨10.1063/1.4929557⟩
International audience; We introduce a new bottom-up method for the optimization of dissipative coarse-grain models. The method is based on Bayesian optimization of the likelihood to reproduce a coarse-grained reference trajectory obtained from analy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e103c02d7c78ba1a41a03e5fa82bef76
https://hal.science/hal-01212243
https://hal.science/hal-01212243
Akademický článek
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