Louis Lagardère

Tinker 8: Software Tools for Molecular Design

Joshua A. Rackers, Zhi Wang, Chao Lü et al. · Journal of Chemical Theory and Computation · 2018 · 1.2K citations · Full text

Natural Sciences, Chemistry, High-performance Computing +17

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

A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations

Daniele Loco, Étienne Polack, Stefano Caprasecca et al. · Journal of Chemical Theory and Computation · 2016 · 192 citations · Full text

Natural Sciences, Chemistry, Physics +17

Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding

Daniele Loco, Louis Lagardère, Stefano Caprasecca et al. · Journal of Chemical Theory and Computation · 2017 · 126 citations · Full text

Natural Sciences, Chemistry, Physics +17

Tinker‐OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs

Matthew Harger, Daniel Li, Zhi Wang et al. · Journal of Computational Chemistry · 2017 · 119 citations · Full text

Natural Sciences, Biophysics, Chemistry +17