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The Journal of Physical Chemistry. B
|
January 21, 2014
Polarizable six-point water models from computational and empirical optimization
Philipp Tröster, Konstantin Lorenzen, Paul Tavan
Journal of Chemical Theory and Computation
|
November 21, 2015
Including the Dispersion Attraction into Structure-Adapted Fast Multipole Expansions for MD Simulations
Konstantin Lorenzen, Christoph Wichmann, Paul Tavan
The Journal of Chemical Physics
|
November 17, 2015
Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions
Konstantin Lorenzen, Gerald Mathias, Paul Tavan
The Journal of Physical Chemistry. B
|
July 13, 2013
Polarizable water models from mixed computational and empirical optimization
Philipp Tröster, Konstantin Lorenzen, Magnus Schwörer, et al.
The Journal of Chemical Physics
|
March 16, 2015
Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations
Magnus Schwörer, Konstantin Lorenzen, Gerald Mathias, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Optimizing the Accuracy and Efficiency of Fast Hierarchical Multipole Expansions for MD Simulations
Konstantin Lorenzen, Magnus Schwörer, Philipp Tröster, et al.
The Journal of Chemical Physics
|
July 5, 2013
Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations
Magnus Schwörer, Benedikt Breitenfeld, Philipp Tröster, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. B
|
January 21, 2014
Polarizable six-point water models from computational and empirical optimization
Philipp Tröster, Konstantin Lorenzen, Paul Tavan
Journal of Chemical Theory and Computation
|
November 21, 2015
Including the Dispersion Attraction into Structure-Adapted Fast Multipole Expansions for MD Simulations
Konstantin Lorenzen, Christoph Wichmann, Paul Tavan
The Journal of Chemical Physics
|
November 17, 2015
Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions
Konstantin Lorenzen, Gerald Mathias, Paul Tavan
The Journal of Physical Chemistry. B
|
July 13, 2013
Polarizable water models from mixed computational and empirical optimization
Philipp Tröster, Konstantin Lorenzen, Magnus Schwörer, et al.
The Journal of Chemical Physics
|
March 16, 2015
Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations
Magnus Schwörer, Konstantin Lorenzen, Gerald Mathias, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Optimizing the Accuracy and Efficiency of Fast Hierarchical Multipole Expansions for MD Simulations
Konstantin Lorenzen, Magnus Schwörer, Philipp Tröster, et al.
The Journal of Chemical Physics
|
July 5, 2013
Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations
Magnus Schwörer, Benedikt Breitenfeld, Philipp Tröster, et al.
Page
of 1