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The Journal of Physical Chemistry Letters
|
June 29, 2016
Computing the Kirkwood g-Factor by Combining Constant Maxwell Electric Field and Electric Displacement Simulations: Application to the Dielectric Constant of Liquid Water
Chao Zhang, Jürg Hutter, Michiel Sprik
The Journal of Chemical Physics
|
October 19, 2005
A density-functional approach to polarizable models: a Kim-Gordon response density interaction potential for molecular simulations
Gloria Tabacchi, Jürg Hutter, Christopher J Mundy
The Journal of Physical Chemistry. B
|
June 15, 2006
Ionic liquids from Car-Parrinello simulations, part I: liquid AlCl3
Barbara Kirchner, Ari P Seitsonen, Jürg Hutter
Journal of Chemical Theory and Computation
|
November 26, 2015
Second-Order Møller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach
Mauro Del Ben, Jürg Hutter, Joost VandeVondele
The Journal of Chemical Physics
|
August 10, 2015
Probing the structural and dynamical properties of liquid water with models including non-local electron correlation
Mauro Del Ben, Jürg Hutter, Joost VandeVondele
The Journal of Chemical Physics
|
September 17, 2015
Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach
Mauro Del Ben, Jürg Hutter, Joost VandeVondele
Journal of Chemical Theory and Computation
|
December 2, 2015
Car-Parrinello Molecular Dynamics Simulations of CaCl2 Aqueous Solutions
Teodora Todorova, Philippe H Hünenberger, Jürg Hutter
Journal of Chemical Theory and Computation
|
June 28, 2016
GW in the Gaussian and Plane Waves Scheme with Application to Linear Acenes
Jan Wilhelm, Mauro Del Ben, Jürg Hutter
Molecules (Basel, Switzerland)
|
November 11, 2020
Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and Evaluation
Frederick Stein, Jürg Hutter, Vladimir V Rybkin
Journal of Chemical Theory and Computation
|
November 20, 2015
Electron Correlation in the Condensed Phase from a Resolution of Identity Approach Based on the Gaussian and Plane Waves Scheme
Mauro Del Ben, Jürg Hutter, Joost VandeVondele
Page
of 11
Search research articles
Search
Showing results (31-40 of 101) with videos related to
Sort By:
Page
of 11
The Journal of Physical Chemistry Letters
|
June 29, 2016
Computing the Kirkwood g-Factor by Combining Constant Maxwell Electric Field and Electric Displacement Simulations: Application to the Dielectric Constant of Liquid Water
Chao Zhang, Jürg Hutter, Michiel Sprik
The Journal of Chemical Physics
|
October 19, 2005
A density-functional approach to polarizable models: a Kim-Gordon response density interaction potential for molecular simulations
Gloria Tabacchi, Jürg Hutter, Christopher J Mundy
The Journal of Physical Chemistry. B
|
June 15, 2006
Ionic liquids from Car-Parrinello simulations, part I: liquid AlCl3
Barbara Kirchner, Ari P Seitsonen, Jürg Hutter
Journal of Chemical Theory and Computation
|
November 26, 2015
Second-Order Møller-Plesset Perturbation Theory in the Condensed Phase: An Efficient and Massively Parallel Gaussian and Plane Waves Approach
Mauro Del Ben, Jürg Hutter, Joost VandeVondele
The Journal of Chemical Physics
|
August 10, 2015
Probing the structural and dynamical properties of liquid water with models including non-local electron correlation
Mauro Del Ben, Jürg Hutter, Joost VandeVondele
The Journal of Chemical Physics
|
September 17, 2015
Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach
Mauro Del Ben, Jürg Hutter, Joost VandeVondele
Journal of Chemical Theory and Computation
|
December 2, 2015
Car-Parrinello Molecular Dynamics Simulations of CaCl2 Aqueous Solutions
Teodora Todorova, Philippe H Hünenberger, Jürg Hutter
Journal of Chemical Theory and Computation
|
June 28, 2016
GW in the Gaussian and Plane Waves Scheme with Application to Linear Acenes
Jan Wilhelm, Mauro Del Ben, Jürg Hutter
Molecules (Basel, Switzerland)
|
November 11, 2020
Double-Hybrid DFT Functionals for the Condensed Phase: Gaussian and Plane Waves Implementation and Evaluation
Frederick Stein, Jürg Hutter, Vladimir V Rybkin
Journal of Chemical Theory and Computation
|
November 20, 2015
Electron Correlation in the Condensed Phase from a Resolution of Identity Approach Based on the Gaussian and Plane Waves Scheme
Mauro Del Ben, Jürg Hutter, Joost VandeVondele
Page
of 11