Author of the publication

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.

C. Narth, L. Lagardère, É. Polack, N. Gresh, Q. Wang, D. Bell, J. Rackers, J. Ponder, P. Ren, and J. Piquemal. Journal of Computational Chemistry, 37 (5): 494-506 (2016)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

No persons found for author name Polack, Étienne

add a person with the name Polack, Étienne

Other publications of authors with the same name

A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-termsB. Stamm, L. Lagardère, É. Polack, Y. Maday, and J. Piquemal. The Journal of Chemical Physics, (Sep 28, 2018)Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.C. Narth, L. Lagardère, É. Polack, N. Gresh, Q. Wang, D. Bell, J. Rackers, J. Ponder, P. Ren, and J. Piquemal. Journal of Computational Chemistry, 37 (5): 494-506 (2016)A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born–Oppenheimer Molecular DynamicsF. Pes, É. Polack, P. Mazzeo, G. Dusson, B. Stamm, and F. Lipparini. The Journal of Physical Chemistry Letters, (October 2023)An integral equation approach to calculate electrostatic interactions in many-body dielectric systems.E. Lindgren, A. Stace, É. Polack, Y. Maday, B. Stamm, and E. Besley. J. Comput. Physics, (2018)A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular DynamicsF. Pes, É. Polack, P. Mazzeo, G. Dusson, B. Stamm, and F. Lipparini. The journal of physical chemistry letters, 14 (43): 9720-9726 (2023)Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II. Toward Massively Parallel Computations Using Smooth Particle Mesh EwaldL. Lagardère, F. Lipparini, E. Polack, B. Stamm, E. Cancès, M. Schnieders, P. Ren, Y. Maday, and J. Piquemal. Journal of Chemical Theory and Computation, 11 (6): 2589-2599 (2015)An integral equation approach to calculate electrostatic interactions in many-body dielectric systemsE. Lindgren, A. Stace, E. Polack, Y. Maday, B. Stamm, and E. Besley. Journal of Computational Physics, (October 2018)A Quasi Time-Reversible scheme based on density matrix extrapolation on the Grassmann manifold for Born-Oppenheimer Molecular DynamicsF. Pes, È. Polack, P. Mazzeo, G. Dusson, B. Stamm, and F. Lipparini. (2023)An approximation strategy to compute accurate initial density matrices for repeated self-consistent field calculations at different geometriesE. Polack, A. Mikhalev, G. Dusson, B. Stamm, and F. Lipparini. Molecular Physics, 118 (19-20): e1779834 (June 2020)Grassmann Extrapolation of Density Matrices for Born–Oppenheimer Molecular DynamicsE. Polack, G. Dusson, B. Stamm, and F. Lipparini. Journal of Chemical Theory and Computation, 17 (11): 6965--6973 (October 2021)

PUMA

Disambiguation of "Polack, Étienne"

Please choose a person to relate this publication to

Other publications of authors with the same name

Disambiguation