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).
(Show more)
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 trainee
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| 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 |
| Plé T, Adjoua O, Lagardère L, et al. (2024) FeNNol: An efficient and flexible library for building force-field-enhanced neural network potentials. The Journal of Chemical Physics. 161 |
| Chen G, Jaffrelot Inizan T, Plé T, et al. (2024) Advancing Force Fields Parameterization: A Directed Graph Attention Networks Approach. Journal of Chemical Theory and Computation |
| 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 |