Search research articles
Contact Us
Filters
Showing results (31-40 of 76) with videos related to
Page
of 8
Sort By:
The Journal of Chemical Physics
|
September 7, 2010
Exact nonadditive kinetic potentials for embedded density functional theory
Jason D Goodpaster, Nandini Ananth, Frederick R Manby, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2013
Modeling of high-order terms in potential energy surface expansions using the reference-geometry Harris-Foulkes method
Patrick Meier, Greg Bellchambers, Julian Klepp, et al.
The Journal of Chemical Physics
|
July 17, 2015
Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set
Simon J Bennie, Martina Stella, Thomas F Miller, et al.
Physical Review Letters
|
August 16, 2006
Analytical control of molecular excitations including strong field polarization effects
Shiyang Zou, Qinghua Ren, Gabriel G Balint-Kurti, et al.
The Journal of Chemical Physics
|
April 3, 2012
Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory
Yuki Kurashige, Jun Yang, Garnet K-L Chan, et al.
The Journal of Chemical Physics
|
February 2, 2011
Tensor factorizations of local second-order Møller-Plesset theory
Jun Yang, Yuki Kurashige, Frederick R Manby, et al.
Journal of Computational Chemistry
|
July 24, 2010
Comment on "A stationary-wave model of enzyme catalysis" by Carlo Canepa
Richard Lonsdale, Jeremy N Harvey, Frederick R Manby, et al.
Journal of Chemical Theory and Computation
|
August 21, 2012
A Simple, Exact Density-Functional-Theory Embedding Scheme
Frederick R Manby, Martina Stella, Jason D Goodpaster, et al.
Journal of Computational Chemistry
|
February 4, 2010
A massively multicore parallelization of the Kohn-Sham energy gradients
Philip Brown, Christopher J Woods, Simon McIntosh-Smith, et al.
The Journal of Chemical Physics
|
October 2, 2020
OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features
Zhuoran Qiao, Matthew Welborn, Animashree Anandkumar, et al.
Page
of 8
Search research articles
Search
Showing results (31-40 of 76) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
September 7, 2010
Exact nonadditive kinetic potentials for embedded density functional theory
Jason D Goodpaster, Nandini Ananth, Frederick R Manby, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 26, 2013
Modeling of high-order terms in potential energy surface expansions using the reference-geometry Harris-Foulkes method
Patrick Meier, Greg Bellchambers, Julian Klepp, et al.
The Journal of Chemical Physics
|
July 17, 2015
Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set
Simon J Bennie, Martina Stella, Thomas F Miller, et al.
Physical Review Letters
|
August 16, 2006
Analytical control of molecular excitations including strong field polarization effects
Shiyang Zou, Qinghua Ren, Gabriel G Balint-Kurti, et al.
The Journal of Chemical Physics
|
April 3, 2012
Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory
Yuki Kurashige, Jun Yang, Garnet K-L Chan, et al.
The Journal of Chemical Physics
|
February 2, 2011
Tensor factorizations of local second-order Møller-Plesset theory
Jun Yang, Yuki Kurashige, Frederick R Manby, et al.
Journal of Computational Chemistry
|
July 24, 2010
Comment on "A stationary-wave model of enzyme catalysis" by Carlo Canepa
Richard Lonsdale, Jeremy N Harvey, Frederick R Manby, et al.
Journal of Chemical Theory and Computation
|
August 21, 2012
A Simple, Exact Density-Functional-Theory Embedding Scheme
Frederick R Manby, Martina Stella, Jason D Goodpaster, et al.
Journal of Computational Chemistry
|
February 4, 2010
A massively multicore parallelization of the Kohn-Sham energy gradients
Philip Brown, Christopher J Woods, Simon McIntosh-Smith, et al.
The Journal of Chemical Physics
|
October 2, 2020
OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features
Zhuoran Qiao, Matthew Welborn, Animashree Anandkumar, et al.
Page
of 8