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Nathan Luehr

Showing results (1-10 of 11) with videos related to

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The Journal of Chemical Physics|March 5, 2014
Multiple time step integrators in ab initio molecular dynamicsNathan Luehr, Thomas E Markland, Todd J Martínez
Journal of Chemical Theory and Computation|November 26, 2015
Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)Nathan Luehr, Ivan S Ufimtsev, Todd J Martínez
Journal of Chemical Theory and Computation|November 18, 2015
Ab initio interactive molecular dynamics on graphical processing units (GPUs)Nathan Luehr, Alex G B Jin, Todd J Martínez
Journal of Chemical Theory and Computation|November 18, 2015
Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum ModelsFang Liu, Nathan Luehr, Heather J Kulik, et al.
The Journal of Chemical Physics|October 24, 2015
An atomic orbital-based formulation of analytical gradients and nonadiabatic coupling vector elements for the state-averaged complete active space self-consistent field method on graphical processing unitsJames W Snyder, Edward G Hohenstein, Nathan Luehr, et al.
Journal of Chemical Theory and Computation|June 21, 2011
Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing UnitsChristine M Isborn, Nathan Luehr, Ivan S Ufimtsev, et al.
The Journal of Chemical Physics|June 15, 2015
An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing unitsEdward G Hohenstein, Nathan Luehr, Ivan S Ufimtsev, et al.
The Journal of Physical Chemistry. B|September 15, 2012
Ab initio quantum chemistry for protein structuresHeather J Kulik, Nathan Luehr, Ivan S Ufimtsev, et al.
Journal of Chemical Theory and Computation|November 22, 2015
Generating Efficient Quantum Chemistry Codes for Novel ArchitecturesAlexey V Titov, Ivan S Ufimtsev, Nathan Luehr, et al.
The Journal of Chemical Physics|July 10, 2015
Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing unitsEdward G Hohenstein, Marine E F Bouduban, Chenchen Song, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|March 5, 2014
Multiple time step integrators in ab initio molecular dynamicsNathan Luehr, Thomas E Markland, Todd J Martínez
Journal of Chemical Theory and Computation|November 26, 2015
Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)Nathan Luehr, Ivan S Ufimtsev, Todd J Martínez
Journal of Chemical Theory and Computation|November 18, 2015
Ab initio interactive molecular dynamics on graphical processing units (GPUs)Nathan Luehr, Alex G B Jin, Todd J Martínez
Journal of Chemical Theory and Computation|November 18, 2015
Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum ModelsFang Liu, Nathan Luehr, Heather J Kulik, et al.
The Journal of Chemical Physics|October 24, 2015
An atomic orbital-based formulation of analytical gradients and nonadiabatic coupling vector elements for the state-averaged complete active space self-consistent field method on graphical processing unitsJames W Snyder, Edward G Hohenstein, Nathan Luehr, et al.
Journal of Chemical Theory and Computation|June 21, 2011
Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing UnitsChristine M Isborn, Nathan Luehr, Ivan S Ufimtsev, et al.
The Journal of Chemical Physics|June 15, 2015
An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing unitsEdward G Hohenstein, Nathan Luehr, Ivan S Ufimtsev, et al.
The Journal of Physical Chemistry. B|September 15, 2012
Ab initio quantum chemistry for protein structuresHeather J Kulik, Nathan Luehr, Ivan S Ufimtsev, et al.
Journal of Chemical Theory and Computation|November 22, 2015
Generating Efficient Quantum Chemistry Codes for Novel ArchitecturesAlexey V Titov, Ivan S Ufimtsev, Nathan Luehr, et al.
The Journal of Chemical Physics|July 10, 2015
Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing unitsEdward G Hohenstein, Marine E F Bouduban, Chenchen Song, et al.
Pageof 2