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 Chemistry; High Performance Computing
Website:
http://piquemalresearch.com
Google:
"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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Mean distance: 9.37
 
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Cross-listing: Physics Tree - Computer Science Tree - MathTree

Parents

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Claude 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

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Marie-Céline van Severen grad student 2006-2009 Université Pierre et Marie Curie
Robin Chaudret grad student 2008-2011 Université Pierre et Marie Curie
Aude Marjolin grad student 2009-2012 Université Pierre et Marie Curie
Elodie Goldwaser grad student 2010-2013 Université Pierre et Marie Curie
Christophe Narth grad student 2012-2015 Université Pierre et Marie Curie
Roberto A. Boto grad student 2013-2016 Université Pierre et Marie Curie
Geneviève Dusson grad student 2014-2017 Université Pierre et Marie Curie
Lea El-Khoury grad student 2014-2017 Université Pierre et Marie Curie
Louis Lagardère grad student 2014-2017 Université Pierre et Marie Curie
Sehr Naseem-Khan grad student 2015-2018 Sorbonne Université
Félix Aviat grad student 2016-2019 Sorbonne Université
Frédéric Célerse grad student 2017-2020 Sorbonne Université
Dina El Ahdab grad student 2018-2021 Sorbonne Université
Perla El Darazi grad student 2018-2021 Sorbonne Université
Lise Maurin grad student 2018-2021 Sorbonne Université
Olivier Adjoua grad student 2019-2021 Sorbonne Université
Nastasia Mauger grad student 2019-2022 Sorbonne Université
Théo Jaffrelot Inizan grad student 2020-2023 Sorbonne Université
Ioanna-Maria Lygatsika grad student 2020-2024 Sorbonne Université
Mohammad Haidar post-doc 2021- Sorbonne Université
Adrien Schahl post-doc 2021- Sorbonne Université
Margaret Blazhynska post-doc 2023- Sorbonne Université
Diata Traoré post-doc 2023- Sorbonne Université
Marie-Laure Bonnet post-doc 2011-2012 Université Pierre et Marie Curie
Benoit de Courcy post-doc 2010-2013 Université Pierre et Marie Curie
Aixiao Li post-doc 2012-2013 Sorbonne Université
Filippo Lipparini post-doc 2013-2014 Université Pierre et Marie Curie
Antoine Levitt post-doc 2014-2015 Université Pierre et Marie Curie
Maxime Maria post-doc 2018-2019 Sorbonne Université
Félix Aviat post-doc 2019-2020 Sorbonne Université
Daniele Loco post-doc 2017-2021 Sorbonne Université
Igor Chollet post-doc 2021-2022 Sorbonne Université
Thomas Plé post-doc 2021-2023 Sorbonne Université
Pier Paolo Poier post-doc 2021-2023 Sorbonne Université
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Publications

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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
Wang Y, Inizan TJ, Liu C, et al. (2024) Incorporating Neural Networks into the AMOEBA Polarizable Force Field. The Journal of Physical Chemistry. B
Gresh N, El Hage K, Lagardère L, et al. (2023) Enforcing Local DNA Kinks by Sequence-Selective Trisintercalating Oligopeptides of a Tricationic Porphyrin: A Polarizable Molecular Dynamics Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300776
Plé T, Lagardère L, Piquemal JP. (2023) Force-field-enhanced neural network interactions: from local equivariant embedding to atom-in-molecule properties and long-range effects. Chemical Science. 14: 12554-12569
Nochebuena J, Piquemal JP, Liu S, et al. (2023) Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-polarizable Force Fields. Journal of Chemical Theory and Computation. 19: 7715-7730
Poier PP, Lagardère L, Piquemal JP. (2023) Smooth particle mesh Ewald-integrated stochastic Lanczos many-body dispersion algorithm. The Journal of Chemical Physics. 159
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
Chollet I, Lagardère L, Piquemal JP. (2023) ANKH: A Generalized () Interpolated Ewald Strategy for Molecular Dynamics Simulations. Journal of Chemical Theory and Computation
Haidar M, Rančić MJ, Maday Y, et al. (2023) Extension of the Trotterized Unitary Coupled Cluster to Triple Excitations. The Journal of Physical Chemistry. A
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