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Accounts of Chemical Research
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February 24, 2006
Insights for light-driven molecular devices from ab initio multiple spawning excited-state dynamics of organic and biological chromophores
Todd J Martínez
Accounts of Chemical Research
|
September 26, 2017
Ab Initio Reactive Computer Aided Molecular Design
Todd J Martínez
The Journal of Chemical Physics
|
June 24, 2020
Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction
Chenchen Song, Todd J Martínez
The Journal of Chemical Physics
|
August 7, 2009
Charge conservation in electronegativity equalization and its implications for the electrostatic properties of fluctuating-charge models
Jiahao Chen, Todd J Martínez
The Journal of Physical Chemistry. A
|
July 27, 2019
Reaction Dynamics of Cyanohydrins with Hydrosulfide in Water
Stéphanie Valleau, Todd J Martínez
The Journal of Chemical Physics
|
January 23, 2017
Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction
Chenchen Song, Todd J Martínez
The Journal of Chemical Physics
|
February 22, 2023
SQMBox: Interfacing a semiempirical integral library to modular ab initio electronic structure enables new semiempirical methods
Christoph Bannwarth, Todd J Martínez
The Journal of Chemical Physics
|
August 3, 2018
Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction
Chenchen Song, Todd J Martínez
The Journal of Chemical Physics
|
March 4, 2006
Multicentered valence electron effective potentials: a solution to the link atom problem for ground and excited electronic states
Petr Slavícek, Todd J Martínez
The Journal of Chemical Physics
|
May 9, 2016
Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity
Chenchen Song, Todd J Martínez
Page
of 18
Search research articles
Search
Showing results (1-10 of 180) with videos related to
Sort By:
Page
of 18
Accounts of Chemical Research
|
February 24, 2006
Insights for light-driven molecular devices from ab initio multiple spawning excited-state dynamics of organic and biological chromophores
Todd J Martínez
Accounts of Chemical Research
|
September 26, 2017
Ab Initio Reactive Computer Aided Molecular Design
Todd J Martínez
The Journal of Chemical Physics
|
June 24, 2020
Reduced scaling extended multi-state CASPT2 (XMS-CASPT2) using supporting subspaces and tensor hyper-contraction
Chenchen Song, Todd J Martínez
The Journal of Chemical Physics
|
August 7, 2009
Charge conservation in electronegativity equalization and its implications for the electrostatic properties of fluctuating-charge models
Jiahao Chen, Todd J Martínez
The Journal of Physical Chemistry. A
|
July 27, 2019
Reaction Dynamics of Cyanohydrins with Hydrosulfide in Water
Stéphanie Valleau, Todd J Martínez
The Journal of Chemical Physics
|
January 23, 2017
Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction
Chenchen Song, Todd J Martínez
The Journal of Chemical Physics
|
February 22, 2023
SQMBox: Interfacing a semiempirical integral library to modular ab initio electronic structure enables new semiempirical methods
Christoph Bannwarth, Todd J Martínez
The Journal of Chemical Physics
|
August 3, 2018
Reduced scaling CASPT2 using supporting subspaces and tensor hyper-contraction
Chenchen Song, Todd J Martínez
The Journal of Chemical Physics
|
March 4, 2006
Multicentered valence electron effective potentials: a solution to the link atom problem for ground and excited electronic states
Petr Slavícek, Todd J Martínez
The Journal of Chemical Physics
|
May 9, 2016
Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity
Chenchen Song, Todd J Martínez
Page
of 18