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The Journal of Chemical Physics
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April 25, 2008
An atomic orbital-based reformulation of energy gradients in second-order Møller-Plesset perturbation theory
Sabine Schweizer, Bernd Doser, Christian Ochsenfeld
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory
Bernd Doser, Daniel S Lambrecht, Christian Ochsenfeld
The Journal of Chemical Physics
|
November 19, 2005
Rigorous integral screening for electron correlation methods
Daniel S Lambrecht, Bernd Doser, Christian Ochsenfeld
Journal of Computational Chemistry
|
November 14, 2007
Linear-scaling Cholesky decomposition
Sabine Schweizer, Jörg Kussmann, Bernd Doser, et al.
The Journal of Chemical Physics
|
June 3, 2009
Cholesky-decomposed densities in Laplace-based second-order Møller-Plesset perturbation theory
Jan Zienau, Lucien Clin, Bernd Doser, et al.
The Journal of Chemical Physics
|
February 19, 2009
Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria
Bernd Doser, Daniel S Lambrecht, Jörg Kussmann, et al.
The Journal of Chemical Physics
|
October 2, 2020
A workflow for exploring ligand dissociation from a macromolecule: Efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories
Daria B Kokh, Bernd Doser, Stefan Richter, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
April 25, 2008
An atomic orbital-based reformulation of energy gradients in second-order Møller-Plesset perturbation theory
Sabine Schweizer, Bernd Doser, Christian Ochsenfeld
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Tighter multipole-based integral estimates and parallel implementation of linear-scaling AO-MP2 theory
Bernd Doser, Daniel S Lambrecht, Christian Ochsenfeld
The Journal of Chemical Physics
|
November 19, 2005
Rigorous integral screening for electron correlation methods
Daniel S Lambrecht, Bernd Doser, Christian Ochsenfeld
Journal of Computational Chemistry
|
November 14, 2007
Linear-scaling Cholesky decomposition
Sabine Schweizer, Jörg Kussmann, Bernd Doser, et al.
The Journal of Chemical Physics
|
June 3, 2009
Cholesky-decomposed densities in Laplace-based second-order Møller-Plesset perturbation theory
Jan Zienau, Lucien Clin, Bernd Doser, et al.
The Journal of Chemical Physics
|
February 19, 2009
Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria
Bernd Doser, Daniel S Lambrecht, Jörg Kussmann, et al.
The Journal of Chemical Physics
|
October 2, 2020
A workflow for exploring ligand dissociation from a macromolecule: Efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories
Daria B Kokh, Bernd Doser, Stefan Richter, et al.
Page
of 1