Daniel Borgis - Publications, H-index & Citations

Daniel Borgis

cnrs

45H指数

136论文数

6.0K被引数

收录论文 47

发表时间

Classical Density Functional Theory of Lennard-Jones Fluids: The Weighted-Density Approximation Revisited Lennard-Jones流体的经典密度泛函理论：加权密度近似再探

The Journal of Physical Chemistry B

IF2.9

2026-05-04

PREAI

Luc Belloni; Guillaume Jeanmairet; Daniel Borgis

Molecular Density Functional Theory with Atomistic Dipolar Solvent to Study Pressure Effect on a Diels-Alder Reaction

phys. chem. chem. phys.

IF0

2026-01-26

PREAI

Jean-Marc Lude; Pascal Tremblin; Isabelle Chataigner; Daniel Borgis; Riccardo Spezia

The orientational structure of a model patchy particle fluid: Simulations, integral equations, density functional theory, and machine learning

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2025-01-16

OAAI

Simon, Alessandro; Belloni, Luc; Borgis, Daniel; Oettel, Martin

Dielectric response of confined water films from a classical density functional theory perspective 从经典密度泛函理论的角度看承压水膜的介电响应

CHEMICAL SCIENCE

IF7.4

2023-01-01

OAAI

Borgis, Daniel; Laage, Damien; Belloni, Luc; Jeanmairet, Guillaume

Quantifying Fluctuations of Average Solvent Environments for Embedding Calculations

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-01-19

OAAI

Gonzalez-Espinoza, Cristina E.; Rumble, Christopher A.; Borgis, Daniel; Wesolowski, Tomasz A.

Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-07-13

OAAI

Borgis, Daniel; Luukkonen, Sohvi; Belloni, Luc; Jeanmairet, Guillaume

Tackling Solvent Effects by Coupling Electronic and Molecular Density Functional Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-09-07

OAAI

Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional Theory

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-06-25

OAAI

Luukkonen, Sohvi; Belloni, Luc; Borgis, Daniel; Levesque, Maximilien

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-02-12

OAAI

Luukkonen, Sohvi; Levesque, Maximilien; Belloni, Luc; Borgis, Daniel

Study of a water-graphene capacitor with molecular density functional theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-09-26

OAAI

Jeanmairet, Guillaume; Rotenberg, Benjamin; Borgis, Daniel; Salanne, Mathieu

Computing three-dimensional densities from force densities improves statistical efficiency

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-08-14

OAAI

Coles, Samuel W.; Borgis, Daniel; Vuilleumier, Rodolphe; Rotenberg, Benjamin

A molecular density functional theory approach to electron transfer reactions

CHEMICAL SCIENCE

IF7.4

2019-01-01

OAAI

Jeanmairet, Guillaume; Rotenberg, Benjamin; Levesque, Maximilien; Borgis, Daniel; Salanne, Mathieu

Efficient molecular density functional theory using generalized spherical harmonics expansions

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-09-07

OAAI

Ding, Lu; Levesque, Maximilien; Borgis, Daniel; Belloni, Luc

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-11-13

OAAI

Sergiievskyi, Volodymyr; Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

Computing thermal Wigner densities with the phase integration method

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-08-22

PREAI

Beutier, J.; Borgis, D.; Vuilleumier, R.; Bonella, S.

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-10-16

OAAI

Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

Accurate evaluation of the angular-dependent direct correlation function of water

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-07-18

PREAI

Zhao, Shuangliang; Liu, Honglai; Ramirez, Rosa; Borgis, Daniel

A multiscale coarse-grained polarizable solvent model for handling long tail bulk electrostatics 用于处理长尾批量静电的多尺度粗粒可极化溶剂模型

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2013-02-05

PREAI

Masella, Michel; Borgis, Daniel; Cuniasse, Philippe

Modeling Protein-Protein Recognition in Solution Using the Coarse-Grained Force Field SCORPION

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2012-12-20

PREAI

Basdevant, Nathalie; Borgis, Daniel; Ha-Duong, Tap

PROTON CONDUCTION Hopping along hydrogen bonds

NATURE CHEMISTRY

IF20.2

2012-05-22

PREAI

Vuilleumier, Rodolphe; Borgis, Daniel

研究方向