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).
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Mean distance: 9.37
 
SNBCP
Cross-listing: Chemistry 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 (Chemistry Tree)
 (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 (Chemistry Tree)
 (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 (Chemistry Tree)

Children

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

Collaborators

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Nohad Gresh collaborator Université Pierre et Marie Curie (Chemistry Tree)
Lalith Perera collaborator (Chemistry Tree)
BETA: Related publications

Publications

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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
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
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