Jean-Philip Piquemal

5PUBLICATIONS
6CO-AUTHORS
Mathematical aspects of general relativityReaction kinetics and dynamicsStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterStatistical mechanics in chemistryComputational chemistry
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Publications (5)

|Nov 21, 2021
Improvement of the Gaussian Electrostatic Model by separate fitting of Coulomb and exchange-repulsion densities and implementation of a new dispersion term.

Sehr Naseem-Khan, Jean-Philip Piquemal, G Andrés Cisneros

|Jul 17, 2020
Velocity jump processes: An alternative to multi-timestep methods for faster and accurate molecular dynamics simulations.

Pierre Monmarché, Jérémy Weisman, Louis Lagardère

|Oct 04, 2018
A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms.

Benjamin Stamm, Louis Lagardère, Étienne Polack

|Nov 04, 2017
The truncated conjugate gradient (TCG), a non-iterative/fixed-cost strategy for computing polarization in molecular dynamics: Fast evaluation of analytical forces.

Félix Aviat, Louis Lagardère, Jean-Philip Piquemal

|Nov 04, 2017
Preface: Special Topic: From Quantum Mechanics to Force Fields.

Jean-Philip Piquemal, Kenneth D Jordan

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Frequent Collaborators

3 joint publications

Louis Lagardère

1 joint publications

Kenneth D Jordan

1 joint publications

Benjamin Stamm

1 joint publications

Pierre Monmarché