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	Pour les 33 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Introduction to Classical Density Functional Theory by a Computational Experiment Guillaume Jeanmairet , Nicolas Lévy , Maximilien Levesque , Daniel Borgis Journal of Chemical Education, 2014, 91 (12), ⟨10.1021/ed500049m⟩ Article dans une revue hal-01308784v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular density functional theory of water including density–polarization coupling Guillaume Jeanmairet , Nicolas Lévy , Maximilien Levesque , Daniel Borgis Journal of Physics: Condensed Matter, 2016, 28 (24), ⟨10.1088/0953-8984/28/24/244005⟩ Article dans une revue hal-01308758v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes Luc Belloni , Daniel Borgis , Maximilien Levesque Journal of Physical Chemistry Letters, 2018, 9 (8), pp.1985 - 1989. ⟨10.1021/acs.jpclett.8b00606⟩ Article dans une revue cea-01779405v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Taylor dispersion with adsorption and desorption Maximilien Levesque , Olivier Bénichou , Raphaël Voituriez , Benjamin Rotenberg Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2012, 86 (3), ⟨10.1103/PhysRevE.86.036316⟩ Article dans une revue hal-01308815v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A molecular density functional theory approach to electron transfer reactions Guillaume Jeanmairet , Benjamin Rotenberg , Maximilien Levesque , Daniel Borgis , Mathieu Salanne Chemical Science, 2019, 10 (7), pp.2130-2143. ⟨10.1039/c8sc04512g⟩ Article dans une revue hal-02055678v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		High-throughput free energies and water maps for drug discovery through molecular density functional theory Sohvi Luukkonen , Luc Belloni , Daniel Borgis , Maximilien Levesque 6ème workshop AMMIB, May 2018, Evry, France Communication dans un congrès cea-02340016v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Scalar fundamental measure theory for hard spheres in three dimensions: Application to hydrophobic solvation Maximilien Levesque , Rodolphe Vuilleumier , Daniel Borgis Journal of Chemical Physics, 2012, 137 (3), ⟨10.1063/1.4734009⟩ Article dans une revue hal-01308818v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular diffusion between walls with adsorption and desorption Maximilien Levesque , Olivier Bénichou , Benjamin Rotenberg Journal of Chemical Physics, 2013, 138 (3), pp.034107. ⟨10.1063/1.4775742⟩ Article dans une revue hal-01308797v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Efficient molecular density functional theory using generalized spherical harmonics expansions Lu Ding , Maximilien Levesque , Daniel Borgis , Luc Belloni Journal of Chemical Physics, 2017, 147, pp.094107. ⟨10.1063/1.4994281⟩ Article dans une revue cea-01564512v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		What Does Second Harmonic Scattering Measure in Diluted Electrolytes ? Daniel Borgis , Luc Belloni , Maximilien Levesque Journal of Physical Chemistry Letters, In press, 9, pp.3698-3702. ⟨10.1021/acs.jpclett.8b01690⟩ Article dans une revue cea-01818645v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Lattice Boltzmann Electrokinetics simulation of nanocapacitors Adelchi J. Asta , Ivan Palaia , Emmanuel Trizac , Maximilien Levesque , Benjamin Rotenberg Journal of Chemical Physics, 2019, ⟨10.1063/1.5119341⟩ Article dans une revue hal-02295839v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic origin of the anomalous segregation behavior of Cr in Fe-rich Fe-Cr alloys Maximilien Levesque , Michèle Gupta , Raju P. Gupta Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85 (6), ⟨10.1103/PhysRevB.85.064111⟩ Article dans une revue hal-01308820v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular density functional theory of water Guillaume Jeanmairet , Maximilien Levesque , Rodolphe Vuilleumier , Daniel Borgis Journal of Physical Chemistry Letters, 2013, 4 (4), ⟨10.1021/jz301956b⟩ Article dans une revue hal-01308802v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Démixtion et ségrégation superficielle dans les alliages fer-chrome : de la structure électronique aux modèles thermodynamiques Maximilien Levesque Analyse de données, Statistiques et Probabilités [physics.data-an]. Université Paris Sud - Paris XI, 2010. Français. ⟨NNT : ⟩ Thèse tel-00573815v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys Maximilien Levesque , Enrique Martínez , Chu-Chun Fu , Maylise Nastar , Frédéric Soisson Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84 (18), pp.184205. ⟨10.1103/PhysRevB.84.184205⟩ Article dans une revue hal-01308824v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Transient hydrodynamic finite-size effects in simulations under periodic boundary conditions Adelchi J. Asta , Maximilien Levesque , Rodolphe Vuilleumier , Benjamin Rotenberg Physical Review E , 2017, 95 (6), pp.061301. ⟨10.1103/PhysRevE.95.061301⟩ Article dans une revue hal-01548459v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections Volodymyr P. Sergiievskyi , Guillaume Jeanmairet , Maximilien Levesque , Daniel Borgis Journal of Physical Chemistry Letters, 2014, 5 (11), ⟨10.1021/jz500428s⟩ Article dans une revue hal-01308791v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular density functional theory of water describing hydrophobicity at short and long length scales Guillaume Jeanmairet , Maximilien Levesque , Daniel Borgis Journal of Chemical Physics, 2013, 139 (15), ⟨10.1063/1.4824737⟩ Article dans une revue hal-01308799v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Effect of surface hydrogen on the anomalous surface segregation behavior of Cr in Fe-rich Fe-Cr alloys Michèle Gupta , Raju P. Gupta , Maximilien Levesque Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 86 (18), pp.184201. ⟨10.1103/PhysRevB.86.184201⟩ Article dans une revue hal-01308822v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Solvation of complex surfaces via molecular density functional theory Maximilien Levesque , Virginie Marry , Benjamin Rotenberg , Guillaume Jeanmairet , Rodolphe Vuilleumier , et al. Journal of Chemical Physics, 2012, 137 (22), ⟨10.1063/1.4769729⟩ Article dans une revue hal-01308817v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Bridge functional for the molecular density functional theory with consistent pressure and surface tension and its importance for solvation in water Cédric Gageat , Luc Belloni , Daniel Borgis , Maximilien Levesque 2017 Pré-publication, Document de travail cea-01612950v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Tackling Solvent Effects by Coupling Electronic and Molecular Density Functional Theory Guillaume Jeanmairet , Maximilien Levesque , Daniel Borgis Journal of Chemical Theory and Computation, 2020, ⟨10.1021/acs.jctc.0c00729⟩ Article dans une revue hal-02989427v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Anomalous surface segregation profiles in ferritic Fe-Cr stainless steel Maximilien Levesque Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 87 (7), ⟨10.1103/PhysRevB.87.075409⟩ Article dans une revue hal-01308808v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Unexpected coupling between flow and adsorption in porous media Jean-Mathieu Vanson, , François-Xavier Coudert , Benjamin Rotenberg , Maximilien Levesque , Caroline Tardivat , et al. Soft Matter, 2015, 11 (30), pp.6125-6133. ⟨10.1039/c5sm01348h⟩ Article dans une revue hal-01308089v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydration of clays at the molecular scale: the promising perspective of classical density functional theory Guillaume Jeanmairet , Virginie Marry , Maximilien Levesque , Benjamin Rotenberg , Daniel Borgis Molecular Physics, 2014, 112 (9-10), ⟨10.1080/00268976.2014.899647⟩ Article dans une revue hal-01308788v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular density functional theory for water with liquid-gas coexistence and correct pressure Guillaume Jeanmairet , Maximilien Levesque , Volodymyr Sergiievskyi , Daniel Borgis Journal of Chemical Physics, 2015, 142 (15), pp.154112. ⟨10.1063/1.4917485⟩ Article dans une revue hal-01308781v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation Sohvi Luukkonen , Maximilien Levesque , Luc Belloni , Daniel Borgis Journal of Chemical Physics, 2020, 152 (6), pp.064110. ⟨10.1063/1.5142651⟩ Article dans une revue hal-03094136v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Accounting for adsorption and desorption in Lattice-Boltzmann simulations Maximilien Levesque , Magali Duvail , Ignacio Pagonabarraga , Daan Frenkel , Benjamin Rotenberg Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2013, 88, pp.013308. ⟨10.1103/PhysRevE.88.013308⟩ Article dans une revue hal-01078977v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Solvation free-energy pressure corrections in the three dimensional reference interaction site model Volodymyr Sergiievskyi , Guillaume Jeanmairet , Maximilien Levesque , Daniel Borgis Journal of Chemical Physics, 2015, 143 (18), pp.184116. ⟨10.1063/1.4935065⟩ Article dans une revue hal-01308776v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Simulations of Decomposition Kinetics of Fe-Cr Solid Solutions during Thermal Aging Enrique Martinez , Chu Chun Fu , Maximilien Levesque , Maylise Nastar , Frédéric Soisson Solid State Data - Pt B: Solid State Phenomena, 2011, 172-174, ⟨10.4028/www.scientific.net/SSP.172-174.1016⟩ Article dans une revue hal-01308823v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Introduction to Classical Density Functional Theory by a Computational Experiment

Molecular density functional theory of water including density–polarization coupling

Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes

Taylor dispersion with adsorption and desorption

A molecular density functional theory approach to electron transfer reactions

High-throughput free energies and water maps for drug discovery through molecular density functional theory

Scalar fundamental measure theory for hard spheres in three dimensions: Application to hydrophobic solvation

Molecular diffusion between walls with adsorption and desorption

Efficient molecular density functional theory using generalized spherical harmonics expansions

What Does Second Harmonic Scattering Measure in Diluted Electrolytes ?

Lattice Boltzmann Electrokinetics simulation of nanocapacitors

Electronic origin of the anomalous segregation behavior of Cr in Fe-rich Fe-Cr alloys

Molecular density functional theory of water

Démixtion et ségrégation superficielle dans les alliages fer-chrome : de la structure électronique aux modèles thermodynamiques

Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys

Transient hydrodynamic finite-size effects in simulations under periodic boundary conditions

Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections

Molecular density functional theory of water describing hydrophobicity at short and long length scales

Effect of surface hydrogen on the anomalous surface segregation behavior of Cr in Fe-rich Fe-Cr alloys

Solvation of complex surfaces via molecular density functional theory

Bridge functional for the molecular density functional theory with consistent pressure and surface tension and its importance for solvation in water

Tackling Solvent Effects by Coupling Electronic and Molecular Density Functional Theory

Anomalous surface segregation profiles in ferritic Fe-Cr stainless steel

Unexpected coupling between flow and adsorption in porous media

Hydration of clays at the molecular scale: the promising perspective of classical density functional theory

Molecular density functional theory for water with liquid-gas coexistence and correct pressure

Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation

Accounting for adsorption and desorption in Lattice-Boltzmann simulations

Solvation free-energy pressure corrections in the three dimensional reference interaction site model

Simulations of Decomposition Kinetics of Fe-Cr Solid Solutions during Thermal Aging