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The Journal of Chemical Physics
|
September 13, 2006
Efficient implementation of the fast multipole method
Elias Rudberg, Paweł Sałek
Journal of Computational Chemistry
|
May 9, 2007
A self-contained and portable density functional theory library for use in Ab Initio quantum chemistry programs
Paweł Sałek, Andreas Hesselmann
Journal of Computational Chemistry
|
September 20, 2005
Systematic sparse matrix error control for linear scaling electronic structure calculations
Emanuel H Rubensson, Paweł Sałek
Nano Letters
|
July 3, 2007
Nonlocal exchange interaction removes half-metallicity in graphene nanoribbons
Elias Rudberg, Paweł Sałek, Yi Luo
Journal of Computational Chemistry
|
September 26, 2008
Truncation of small matrix elements based on the Euclidean norm for blocked data structures
Emanuel H Rubensson, Elias Rudberg, Paweł Sałek
The Journal of Chemical Physics
|
February 27, 2008
Density matrix purification with rigorous error control
Emanuel H Rubensson, Elias Rudberg, Paweł Sałek
The Journal of Chemical Physics
|
June 6, 2008
Hartree-Fock calculations with linearly scaling memory usage
Elias Rudberg, Emanuel H Rubensson, Paweł Sałek
Journal of Chemical Theory and Computation
|
November 27, 2015
Automatic Selection of Integral Thresholds by Extrapolation in Coulomb and Exchange Matrix Constructions
Elias Rudberg, Emanuel H Rubensson, Paweł Sałek
Journal of Chemical Theory and Computation
|
November 25, 2015
Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage
Elias Rudberg, Emanuel H Rubensson, Paweł Sałek
Journal of Computational Chemistry
|
May 16, 2007
A hierarchic sparse matrix data structure for large-scale Hartree-Fock/Kohn-Sham calculations
Emanuel H Rubensson, Elias Rudberg, Paweł Sałek
Page
of 3
Search research articles
Search
Showing results (1-10 of 30) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
September 13, 2006
Efficient implementation of the fast multipole method
Elias Rudberg, Paweł Sałek
Journal of Computational Chemistry
|
May 9, 2007
A self-contained and portable density functional theory library for use in Ab Initio quantum chemistry programs
Paweł Sałek, Andreas Hesselmann
Journal of Computational Chemistry
|
September 20, 2005
Systematic sparse matrix error control for linear scaling electronic structure calculations
Emanuel H Rubensson, Paweł Sałek
Nano Letters
|
July 3, 2007
Nonlocal exchange interaction removes half-metallicity in graphene nanoribbons
Elias Rudberg, Paweł Sałek, Yi Luo
Journal of Computational Chemistry
|
September 26, 2008
Truncation of small matrix elements based on the Euclidean norm for blocked data structures
Emanuel H Rubensson, Elias Rudberg, Paweł Sałek
The Journal of Chemical Physics
|
February 27, 2008
Density matrix purification with rigorous error control
Emanuel H Rubensson, Elias Rudberg, Paweł Sałek
The Journal of Chemical Physics
|
June 6, 2008
Hartree-Fock calculations with linearly scaling memory usage
Elias Rudberg, Emanuel H Rubensson, Paweł Sałek
Journal of Chemical Theory and Computation
|
November 27, 2015
Automatic Selection of Integral Thresholds by Extrapolation in Coulomb and Exchange Matrix Constructions
Elias Rudberg, Emanuel H Rubensson, Paweł Sałek
Journal of Chemical Theory and Computation
|
November 25, 2015
Kohn-Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage
Elias Rudberg, Emanuel H Rubensson, Paweł Sałek
Journal of Computational Chemistry
|
May 16, 2007
A hierarchic sparse matrix data structure for large-scale Hartree-Fock/Kohn-Sham calculations
Emanuel H Rubensson, Elias Rudberg, Paweł Sałek
Page
of 3