- About
- Selected Publications
Email: jpp@lct.jussieu.fr
Group Website: piquemalresearch.com/
Full Professor, Sorbonne University, Paris, France
Junior member, The Institute Universitaire de France
Post-doc, National Institute of Environmental Health Sciences, NC, USA
PhD, Theoretical Chemistry, University Pierre et Marie Curie, Paris, France
Research Interests
- Methodological developments in the fields of multi-scale quantum chemistry for large systems
- New generation polarizable force fields
- Quantum chemical topology
- Applied mathematics, biophysics and high performance computing
- “Performance of the Tinker-HP Massively Parallel Molecular Dynamics Package on manycores architectures: A living review,” L. H. Jolly, A. Duran, D. Guibert, J. W. Ponder, P. Y. Ren, L. Lagardère, J.-P. Piquemal, LiveCoMS 2 (2019), forthcoming.
- “Polarizable force fields for biomolecular simulations: Recent advances and applications,” Z. Jing, C. Liu, S. Y. Cheng, R. Qi, B. D. Walker, J.-P. Piquemal, P. Ren, Ann. Rev. Biophys 48 (2019) in press.
- “Tinker 8: Software Tools for Molecular Design,” J. A. Rackers, Z. Wang, C. Lu, M. L. Maury, L. Lagardère, M. J. Schnieders, J.-P. Piquemal, P. Ren, J. W. Ponder, J. Chem. Theory. Comput. 14 (2018) 5273–5289.
- “A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms,” B. Stamm, L. Lagardère, É. Polack, Yvon Maday, J.-P. Piquemal, J. Chem. Phys. 149 (2018) 124103.
- “How to make continuum solvation incredibly fast in a few simple steps: a practical guide to the domain decomposition paradigm for the Conductor-like Screening Model,” B. Stamm, L. Lagardère, G. Scalmani, P. Gatto, E. Cancès, J.-P. Piquemal, Y. Maday, B. Mennucci, F. Lipparini, Int. J. Quant. Chem. 119 (2018) e25669.
- “QM/MM simulations with the Gaussian Electrostatic Model, A density–based polarizable potential,” H. Gökcan, E. Kratz, T. A. Darden, J.-P. Piquemal, G. A. Cisneros, J. Phys. Chem. Lett. 9
Last update: 19 March 2019