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 ComputingWebsite:
http://piquemalresearch.comGoogle:
"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 | S | N | B | C | P |
Cross-listing: Physics Tree - Computer Science Tree - MathTree
Parents
Sign in to add mentor| 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
Sign in to add traineeCollaborators
Sign in to add collaborator| Nohad Gresh | collaborator | Université Pierre et Marie Curie | |
| Lalith Perera | collaborator |
BETA: Related publications
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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 |