Author

Félix Aviat

Observed names: Aviat, Félix, Felix Aviat, Félix Aviat

Institution: Qubit Pharmaceuticals

Observed institutions: Centre National de la Recherche Scientifique, National Institutes of Health, Sorbonne Université, Laboratoire de Chimie Théorique, National Heart, Lung, and Blood Institute, Institut des Sciences du Calcul et des Données, Qubit Pharmaceuticals, Université Pierre-et-Marie-Curie

ORCID: 0009-0005-8134-8715

Observed ORCID: 0009-0005-8134-8715

OpenAlex ID: A5021223249

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

2017 · Louis Lagardère, Luc-Henri Jolly, et al. · Chemical Science · 286

Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations

2016 · Félix Aviat, Antoine Levitt, et al. · Journal of Chemical Theory and Computation · 55

Pushing the Limits of Multiple-Time-Step Strategies for Polarizable Point Dipole Molecular Dynamics

2019 · Louis Lagardère, Félix Aviat, et al. · The Journal of Physical Chemistry Letters · 54

The truncated conjugate gradient (TCG), a non-iterative/fixed-cost strategy for computing polarization in molecular dynamics: Fast evaluation of analytical forces

2017 · Félix Aviat, Louis Lagardère, et al. · The Journal of Chemical Physics · 25

Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches

2022 · Phillip S. Hudson, Félix Aviat, et al. · Journal of Computer-Aided Molecular Design · 16

Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calculations

2025 · Narjes Ansari, Zhifeng Francis Jing, et al. · The Journal of Physical Chemistry Letters · 12

A replica exchange umbrella sampling (REUS) approach to predict host–guest binding free energies in SAMPL8 challenge

2021 · Mahdi Ghorbani, Phillip S. Hudson, et al. · Journal of Computer-Aided Molecular Design · 6

Towards scalable and accurate molecular dynamics using the SIBFA polarizable force field

2017 · Louis Lagardère, Léa El-Khoury, et al. · AIP conference proceedings · 6

apoCHARMM: High-performance molecular dynamics simulations on GPUs for advanced simulation methods

2025 · Samarjeet Prasad, Felix Aviat, et al. · The Journal of Chemical Physics · 5

Dual-LAO for calculating fast and robust relative binding free energies of simple and complex transformations

2026 · Narjes Ansari, Félix Aviat, et al. · Communications Chemistry · 2

The Convergence Frontier: Integrating Machine Learning and High Performance Quantum Computing for Next-Generation Drug Discovery

2026 · Ansari, Narjes, Feniou, César, et al. · HAL · 2

Classical and QM/MM binding free energies : Making good use of force-matching

2021 · Felix Aviat, Phillip Hudson, et al.

Development of High Performance Molecular Dynamics : Fast Evaluation of Polarization Forces

2019 · Félix Aviat · theses.fr (ABES)

Towards scalable and accurate molecular dynamics using the SIBFA polarizable force field

2017 · Lagardère, Louis, El-Khoury, Léa, et al. · HAL

Works count: 16

Citation count: 469

H-index: 6

I10-index: 6