Olivier Adjoua
Affiliations: | 2018-2019 | The Institute of Computing and Data Sciences (ISCD) | Sorbonne Université, Paris, France |
| 2019-2021 | Department of Chemistry, Laboratoire de Chimie Théorique | Sorbonne Université, Paris, France | |
| 2022- | Department of Chemistry, Laboratoire de Chimie Théorique | CNRS, Paris, Île-de-France, France |
Area:
Theoretical Chemistry; High Performance ComputingWebsite:
https://www.researchgate.net/profile/Olivier-AdjouaGoogle:
"Olivier Adjoua"Cross-listing: Chemistry Tree
Parents
Sign in to add mentor| Jean-Philip Piquemal | grad student | 2018-2021 | Sorbonne Université | |
| (Accélération de la dynamique moléculaire polarisable: Du portage sur GPU aux microsecondes de simulations de systèmes biologiques) | ||||
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Publications
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| Gouraud N, Lagardère L, Adjoua O, et al. (2025) Velocity Jumps for Molecular Dynamics. Journal of Chemical Theory and Computation. 21: 2854-2866 |
| Delobelle Q, Jaffrelot Inizan T, Adjoua O, et al. (2024) High-resolution Molecular Dynamics Simulations of the Pyruvate Kinase Muscle Isoform 1 and 2 (PKM1/2). Chemistry (Weinheim An Der Bergstrasse, Germany). e202402534 |
| Traore D, Adjoua O, Feniou C, et al. (2024) Shortcut to chemically accurate quantum computing via density-based basis-set correction. Communications Chemistry. 7: 269 |
| Blazhynska M, Lagardère L, Liu C, et al. (2024) Water-glycan interactions drive the SARS-CoV-2 spike dynamics: insights into glycan-gate control and camouflage mechanisms. Chemical Science |
| Plé T, Adjoua O, Lagardère L, et al. (2024) FeNNol: An efficient and flexible library for building force-field-enhanced neural network potentials. The Journal of Chemical Physics. 161 |
| Lagardère L, Maurin L, Adjoua O, et al. (2024) Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effective Alchemical Free-Energy Computation. Journal of Chemical Theory and Computation |
| Feniou C, Adjoua O, Claudon B, et al. (2024) Sparse Quantum State Preparation for Strongly Correlated Systems. The Journal of Physical Chemistry Letters. 3197-3205 |
| Jaffrelot Inizan T, Plé T, Adjoua O, et al. (2023) Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects. Chemical Science. 14: 5438-5452 |
| Plé T, Mauger N, Adjoua O, et al. (2023) Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials. Journal of Chemical Theory and Computation. 19: 1432-1445 |
| Poier PP, Adjoua O, Lagardère L, et al. (2023) Generalized Many-Body Dispersion Correction through Random-Phase Approximation for Chemically Accurate Density Functional Theory. The Journal of Physical Chemistry Letters. 14: 1609-1617 |