Publications by authors named "Felix Aviat"

Claim this Profile
L
Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calculations.
Narjes Ansari, Zhifeng Francis Jing, Antoine Gagelin, Florent Hédin, Félix Aviat

J Phys Chem Lett· May 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
apoCHARMM: High-performance molecular dynamics simulations on GPUs for advanced simulation methods.
Samarjeet Prasad, Felix Aviat, James E Gonzales, Bernard R Brooks

J Chem Phys· May 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
O
Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches.
Phillip S Hudson, Félix Aviat, Rubén Meana-Pañeda, Luke Warrensford, Benjamin C Pollard

J Comput Aided Mol Des· April 2022

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A replica exchange umbrella sampling (REUS) approach to predict host-guest binding free energies in SAMPL8 challenge.
Mahdi Ghorbani, Phillip S Hudson, Michael R Jones, Félix Aviat, Rubén Meana-Pañeda

J Comput Aided Mol Des· May 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Pushing the Limits of Multiple-Time-Step Strategies for Polarizable Point Dipole Molecular Dynamics.
Louis Lagardère, Félix Aviat, Jean-Philip Piquemal

J Phys Chem Lett· May 2019

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
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, Félix Aviat, Benjamin Stamm

Chem Sci· January 2018

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The truncated conjugate gradient (TCG), a non-iterative/fixed-cost strategy for computing polarization in molecular dynamics: Fast evaluation of analytical forces.
Félix Aviat, Louis Lagardère, Jean-Philip Piquemal

J Chem Phys· October 2017

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations.
Félix Aviat, Antoine Levitt, Benjamin Stamm, Yvon Maday, Pengyu Ren

J Chem Theory Comput· January 2017

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis