Olivier Adjoua

Statistics

Publications

Citations

377

H-Index

Active since

2021

Affiliations

Centre National de la Recherche Scientifique(Current)

Sorbonne Université

Laboratoire de Chimie Théorique

The University of Texas at Austin

Institut Parisien de Chimie Physique et Théorique

Olivier Adjoua is an author at Centre National de la Recherche Scientifique specializing in natural sciences, molecular dynamics, and computational chemistry.

Publications per year

2021–2024

Publications

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

Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects

Théo Jaffrelot Inizan, Thomas Plé, Olivier Adjoua et al. · Chemical Science · 2023 · 44 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Atomistic Polarizable Embeddings: Energy, Dynamics, Spectroscopy, and Reactivity

Daniele Loco, Louis Lagardère, Olivier Adjoua et al. · Accounts of Chemical Research · 2021 · 32 citations · Full text

Natural Sciences, Biophysics, Chemistry +16

Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials

Thomas Plé, Nastasia Mauger, Olivier Adjoua et al. · Journal of Chemical Theory and Computation · 2023 · 28 citations · Full text

Natural Sciences, Chemistry, Physics +17

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