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The Journal of Chemical Physics
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April 26, 2005
Linear scaling computation of the Fock matrix. VII. Periodic density functional theory at the Gamma point
C J Tymczak, Matt Challacombe
Nanoscale Research Letters
|
May 2, 2012
B12Hn and B12Fn: planar vs icosahedral structures
Nevill Gonzalez Szwacki, C J Tymczak
The Journal of Chemical Physics
|
August 17, 2015
A novel Gaussian-Sinc mixed basis set for electronic structure calculations
Jonathan L Jerke, Young Lee, C J Tymczak
The Journal of Chemical Physics
|
October 12, 2004
Linear scaling computation of the Fock matrix. VII. Parallel computation of the Coulomb matrix
Chee Kwan Gan, C J Tymczak, Matt Challacombe
The Journal of Physical Chemistry. A
|
October 31, 2014
DFT study of the reaction of a two-coordinate iron(II) dialkyl complex with molecular oxygen
Bruce M Prince, Thomas R Cundari, C J Tymczak
The Journal of Chemical Physics
|
April 21, 2007
Time-reversible ab initio molecular dynamics
Anders M N Niklasson, C J Tymczak, Matt Challacombe
Physical Review Letters
|
October 10, 2006
Time-reversible Born-Oppenheimer molecular dynamics
Anders M N Niklasson, C J Tymczak, Matt Challacombe
The Journal of Chemical Physics
|
April 20, 2005
Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the Gamma point
C J Tymczak, Valéry T Weber, Eric Schwegler, et al.
The Journal of Chemical Physics
|
April 8, 2010
Trace correcting density matrix extrapolation in self-consistent geometry optimization
Anders M N Niklasson, Matt Challacombe, C J Tymczak, et al.
The Journal of Chemical Physics
|
June 11, 2009
Extended Lagrangian Born-Oppenheimer molecular dynamics with dissipation
Anders M N Niklasson, Peter Steneteg, Anders Odell, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
April 26, 2005
Linear scaling computation of the Fock matrix. VII. Periodic density functional theory at the Gamma point
C J Tymczak, Matt Challacombe
Nanoscale Research Letters
|
May 2, 2012
B12Hn and B12Fn: planar vs icosahedral structures
Nevill Gonzalez Szwacki, C J Tymczak
The Journal of Chemical Physics
|
August 17, 2015
A novel Gaussian-Sinc mixed basis set for electronic structure calculations
Jonathan L Jerke, Young Lee, C J Tymczak
The Journal of Chemical Physics
|
October 12, 2004
Linear scaling computation of the Fock matrix. VII. Parallel computation of the Coulomb matrix
Chee Kwan Gan, C J Tymczak, Matt Challacombe
The Journal of Physical Chemistry. A
|
October 31, 2014
DFT study of the reaction of a two-coordinate iron(II) dialkyl complex with molecular oxygen
Bruce M Prince, Thomas R Cundari, C J Tymczak
The Journal of Chemical Physics
|
April 21, 2007
Time-reversible ab initio molecular dynamics
Anders M N Niklasson, C J Tymczak, Matt Challacombe
Physical Review Letters
|
October 10, 2006
Time-reversible Born-Oppenheimer molecular dynamics
Anders M N Niklasson, C J Tymczak, Matt Challacombe
The Journal of Chemical Physics
|
April 20, 2005
Linear scaling computation of the Fock matrix. VIII. Periodic boundaries for exact exchange at the Gamma point
C J Tymczak, Valéry T Weber, Eric Schwegler, et al.
The Journal of Chemical Physics
|
April 8, 2010
Trace correcting density matrix extrapolation in self-consistent geometry optimization
Anders M N Niklasson, Matt Challacombe, C J Tymczak, et al.
The Journal of Chemical Physics
|
June 11, 2009
Extended Lagrangian Born-Oppenheimer molecular dynamics with dissipation
Anders M N Niklasson, Peter Steneteg, Anders Odell, et al.
Page
of 1