Jean-Philip Piquemal, PhD/HDR
Affiliations: | 2004-2006 | Laboratory of Structural Biology | National Institute of Environmental Health Sciences (NIEHS), Durham, NC, United States |
2006-2017 | Dept. of Chemistry | Université Pierre et Marie Curie, Paris, Île-de-France, France | |
2015- | Dept. of Biomedical Engineering | University of Texas at Austin, Austin, Texas, U.S.A. | |
2018- | Dept. of Chemistry | Sorbonne Université, Paris, France |
Area:
Theoretical and Computational ChemistryWebsite:
http://piquemalresearch.comGoogle:
"Jean-Philip Piquemal"Bio:
Jean-Philip Piquemal is Distinguished Professor of Theoretical Chemistry at Sorbonne Université (Paris, France).
He has been trained as a Quantum Chemist at Université Pierre et Marie Curie (UPMC, Paris). After his PhD (2004), he performed a 2-years postdoctoral stay as a NIH visiting fellow at the National Institute of Environnemental Health Sciences (NIEHS, USA) where he worked with Thomas A. Darden. He became Assistant Professor at UPMC in 2006 and defended his Research Habilitation in 2009 to become Full Professor in 2011. He is currently Distinguished Professor (Exceptional class level 1 (2019) then level 2 (2023)) in Theoretical Chemistry at Sorbonne Université (SU) and Director of the Laboratoire de Chimie Théorique (UMR 7616) a joint research center between SU and CNRS. He holds an Adjunct Professor position at the Biomedical Engineering department of the University of Texas at Austin since 2015 and has been nominated Junior Member of the Institut Universitaire de France in 2016. He is a fellow of the Royal Society of Chemistry (London, UK) since 2022 and co-founded Qubit Pharmaceuticals in 2020. His work is devoted to methodological developments in multiscale quantum chemistry for large (biological) systems including new generation polarizable force fields and neural networks, hybrid QM/MM and Quantum Chemical Topology approaches. His research is performed in strong interdisciplinary interactions with Applied Mathematics, High-Performance and Quantum Computing.
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Cross-listing: Physics Tree - Computer Science Tree - MathTree
Parents
Sign in to add mentorClaude Giessner-Prettre | grad student | 2001-2003 | Université Pierre et Marie Curie | |
(Evaluation des interactions moléculaires dans des complexes bioinorganiques: du calcul ab initio au potentiel polarisable) | ||||
Nohad Gresh | grad student | 2001-2004 | Université Pierre et Marie Curie | |
(Evaluation des interactions moléculaires dans des complexes bioinorganiques: du calcul ab initio au potentiel polarisable) | ||||
Patrick Chaquin | grad student | 2003-2004 | Université Pierre et Marie Curie | |
(Evaluation des interactions moléculaires dans des complexes bioinorganiques: du calcul ab initio au potentiel polarisable) | ||||
Thomas A. Darden | post-doc | 2004-2006 | National Institute of Environmental Health Sciences |
Children
Sign in to add traineePublications
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Maria M, Guionnière S, Dacquay N, et al. (2025) VTX: Real-time high-performance molecular structure and dynamics visualization software. Bioinformatics (Oxford, England) |
Ansari N, Jing ZF, Gagelin A, et al. (2025) Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calculations. The Journal of Physical Chemistry Letters. 16: 4626-4634 |
El Ahdab D, Lagardère L, Hobaika Z, et al. (2025) AMOEBA Polarizable Molecular Dynamics Simulations of Guanine Quadruplexes: From the c-Kit Proto-Oncogene to HIV-1. Journal of Chemical Information and Modeling. 65: 4488-4500 |
Amaro RE, Åqvist J, Bahar I, et al. (2025) The need to implement FAIR principles in biomolecular simulations. Nature Methods |
Schahl A, Lagardère L, Walker B, et al. (2025) Histidine 73 methylation coordinates β-actin plasticity in response to key environmental factors. Nature Communications. 16: 2304 |
Gouraud N, Lagardère L, Adjoua O, et al. (2025) Velocity Jumps for Molecular Dynamics. Journal of Chemical Theory and Computation. 21: 2854-2866 |
Xu Z, Schahl A, Jolivet MD, et al. (2024) Dynamic pre-structuration of lipid nanodomain-segregating remorin proteins. Communications Biology. 7: 1620 |
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 |