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Journal of Chemical Theory and Computation
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November 19, 2015
Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel Calculations
Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
February 15, 2017
Influence of Coupling and Embedding Schemes on QM Size Convergence in QM/MM Approaches for the Example of a Proton Transfer in DNA
Sven Roßbach, Christian Ochsenfeld
The Journal of Chemical Physics
|
December 7, 2007
A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels
Jörg Kussmann, Christian Ochsenfeld
The Journal of Chemical Physics
|
May 10, 2013
A linear- and sublinear-scaling method for calculating NMR shieldings in atomic orbital-based second-order Møller-Plesset perturbation theory
Marina Maurer, Christian Ochsenfeld
The Journal of Chemical Physics
|
January 3, 2019
Low-scaling analytical gradients for the direct random phase approximation using an atomic orbital formalism
Matthias Beuerle, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
June 22, 2017
Hybrid CPU/GPU Integral Engine for Strong-Scaling Ab Initio Methods
Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
June 1, 2017
Employing OpenCL to Accelerate Ab Initio Calculations on Graphics Processing Units
Jörg Kussmann, Christian Ochsenfeld
The Journal of Chemical Physics
|
December 31, 2020
A range-separated generalized Kohn-Sham method including a long-range nonlocal random phase approximation correlation potential
Daniel Graf, Christian Ochsenfeld
Angewandte Chemie (International Ed. in English)
|
December 17, 2016
Reinhart Ahlrichs (1940-2016)
Jürgen Gauss, Christian Ochsenfeld
The Journal of Chemical Physics
|
August 11, 2007
Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory
Jörg Kussmann, Christian Ochsenfeld
Page
of 18
Search research articles
Search
Showing results (11-20 of 175) with videos related to
Sort By:
Page
of 18
Journal of Chemical Theory and Computation
|
November 19, 2015
Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel Calculations
Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
February 15, 2017
Influence of Coupling and Embedding Schemes on QM Size Convergence in QM/MM Approaches for the Example of a Proton Transfer in DNA
Sven Roßbach, Christian Ochsenfeld
The Journal of Chemical Physics
|
December 7, 2007
A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levels
Jörg Kussmann, Christian Ochsenfeld
The Journal of Chemical Physics
|
May 10, 2013
A linear- and sublinear-scaling method for calculating NMR shieldings in atomic orbital-based second-order Møller-Plesset perturbation theory
Marina Maurer, Christian Ochsenfeld
The Journal of Chemical Physics
|
January 3, 2019
Low-scaling analytical gradients for the direct random phase approximation using an atomic orbital formalism
Matthias Beuerle, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
June 22, 2017
Hybrid CPU/GPU Integral Engine for Strong-Scaling Ab Initio Methods
Jörg Kussmann, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
June 1, 2017
Employing OpenCL to Accelerate Ab Initio Calculations on Graphics Processing Units
Jörg Kussmann, Christian Ochsenfeld
The Journal of Chemical Physics
|
December 31, 2020
A range-separated generalized Kohn-Sham method including a long-range nonlocal random phase approximation correlation potential
Daniel Graf, Christian Ochsenfeld
Angewandte Chemie (International Ed. in English)
|
December 17, 2016
Reinhart Ahlrichs (1940-2016)
Jürgen Gauss, Christian Ochsenfeld
The Journal of Chemical Physics
|
August 11, 2007
Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theory
Jörg Kussmann, Christian Ochsenfeld
Page
of 18