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Étienne Polack
Étienne Polack
Pierre-and-Marie-Curie University
Computational chemistry
Particle Mesh
Chemistry
Periodic boundary conditions
Polarizability
3
Papers
168
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A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations
2016
Journal of Chemical Theory and Computation
Daniele Loco
Étienne Polack
Stefano Caprasecca
Louis Lagardère
Filippo Lipparini
Jean-Philip Piquemal
Benedetta Mennucci
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Citations (99)
Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short‐range penetration correction up to quadrupoles
2016
Journal of Computational Chemistry
Christophe Narth
Louis Lagardère
Étienne Polack
Nohad Gresh
Qiantao Wang
David R. Bell
Joshua A. Rackers
Jay W. Ponder
Pengyu Ren
Jean-Philip Piquemal
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Citations (30)
Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II. Toward Massively Parallel Computations Using Smooth Particle Mesh Ewald
2015
Journal of Chemical Theory and Computation
Louis Lagardère
Filippo Lipparini
Étienne Polack
Benjamin Stamm
Eric Cancès
Michael J. Schnieders
Pengyu Ren
Yvon Maday
Jean-Philip Piquemal
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Citations (39)
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