Luc-Henri Jolly

Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields

Louis Lagardère, Luc-Henri Jolly, Filippo Lipparini et al. · Chemical Science · 2017 · 268 citations · Full text

Natural Sciences, High-performance Computing, Physics +10

Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems

Olivier Adjoua, Louis Lagardère, Luc-Henri Jolly et al. · Journal of Chemical Theory and Computation · 2021 · 90 citations · Full text

Natural Sciences, High-performance Computing, Physics +17

High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling

Théo Jaffrelot Inizan, Frédéric Célerse, Olivier Adjoua et al. · Chemical Science · 2021 · 56 citations · Full text

Natural Sciences, Biophysics, Molecular Biology +17

Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface

Dina El Ahdab, Louis Lagardère, Théo Jaffrelot Inizan et al. · The Journal of Physical Chemistry Letters · 2021 · 24 citations · Full text

Natural Sciences, Biochemistry, Biophysics +17

Periodic Hartree-Fock study of minerals: Hexacoordinated SiO2 and GeO2 polymorphs

Luc-Henri Jolly, Bernard Silvi, Philippe D’Arco · European Journal of Mineralogy · 1994 · 22 citations

Natural Sciences, Chemistry, Earth Sciences +14