Olivier Adjoua - Publications

Affiliations: 
2019-2020 The Institute of Computing and Data Sciences (ISCD) Sorbonne Université, Paris, France 
 2020-2021 Department of Chemistry, Laboratoire de Chimie Théorique Sorbonne Université, Paris, France 
 2021- Department of Chemistry, Laboratoire de Chimie Théorique Centre National de la Recherche Scientifique (CNRS) 
Area:
Theoretical Chemistry; High Performance Computing
Website:
https://www.researchgate.net/profile/Olivier-Adjoua

11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Feniou C, Adjoua O, Claudon B, Zylberman J, Giner E, Piquemal JP. Sparse Quantum State Preparation for Strongly Correlated Systems. The Journal of Physical Chemistry Letters. 3197-3205. PMID 38483286 DOI: 10.1021/acs.jpclett.3c03159  0.521
2023 Jaffrelot Inizan T, Plé T, Adjoua O, Ren P, Gökcan H, Isayev O, Lagardère L, Piquemal JP. Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects. Chemical Science. 14: 5438-5452. PMID 37234902 DOI: 10.1039/d2sc04815a  0.778
2023 Plé T, Mauger N, Adjoua O, Inizan TJ, Lagardère L, Huppert S, Piquemal JP. Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials. Journal of Chemical Theory and Computation. 19: 1432-1445. PMID 36856658 DOI: 10.1021/acs.jctc.2c01233  0.696
2023 Poier PP, Adjoua O, Lagardère L, Piquemal JP. Generalized Many-Body Dispersion Correction through Random-Phase Approximation for Chemically Accurate Density Functional Theory. The Journal of Physical Chemistry Letters. 14: 1609-1617. PMID 36749715 DOI: 10.1021/acs.jpclett.2c03722  0.747
2022 Poier PP, Jaffrelot Inizan T, Adjoua O, Lagardère L, Piquemal JP. Accurate Deep Learning-Aided Density-Free Strategy for Many-Body Dispersion-Corrected Density Functional Theory. The Journal of Physical Chemistry Letters. 4381-4388. PMID 35544748 DOI: 10.1021/acs.jpclett.2c00936  0.749
2022 Célerse F, Inizan TJ, Lagardère L, Adjoua O, Monmarché P, Miao Y, Derat E, Piquemal JP. An Efficient Gaussian-Accelerated Molecular Dynamics (GaMD) Multilevel Enhanced Sampling Strategy: Application to Polarizable Force Fields Simulations of Large Biological Systems. Journal of Chemical Theory and Computation. PMID 35080892 DOI: 10.1021/acs.jctc.1c01024  0.785
2021 El Ahdab D, Lagardère L, Inizan TJ, Célerse F, Liu C, Adjoua O, Jolly LH, Gresh N, Hobaika Z, Ren P, Maroun RG, Piquemal JP. Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface. The Journal of Physical Chemistry Letters. 6218-6226. PMID 34196568 DOI: 10.1021/acs.jpclett.1c01460  0.748
2021 Jaffrelot Inizan T, Célerse F, Adjoua O, El Ahdab D, Jolly LH, Liu C, Ren P, Montes M, Lagarde N, Lagardère L, Monmarché P, Piquemal JP. High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling. Chemical Science. 12: 4889-4907. PMID 34168762 DOI: 10.1039/d1sc00145k  0.781
2021 Loco D, Lagardère L, Adjoua O, Piquemal JP. Atomistic Polarizable Embeddings: Energy, Dynamics, Spectroscopy, and Reactivity. Accounts of Chemical Research. PMID 33961401 DOI: 10.1021/acs.accounts.0c00662  0.793
2021 Adjoua O, Lagardère L, Jolly LH, Durocher A, Very T, Dupays I, Wang Z, Inizan TJ, Célerse F, Ren P, Ponder JW, Piquemal JP. Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems. Journal of Chemical Theory and Computation. PMID 33755446 DOI: 10.1021/acs.jctc.0c01164  0.8
2020 Adjoua O, Lagardère L, Jolly LH, Durocher A, Very T, Dupays I, Wang Z, Inizan TJ, Célerse F, Ren P, Ponder JW, Piquemal JP. Tinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems. Arxiv. PMID 33173801  0.798
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