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The Journal of Chemical Physics
|
June 3, 2010
Input vector optimization of feed-forward neural networks for fitting ab initio potential-energy databases
M Malshe, L M Raff, M Hagan, et al.
The Journal of Chemical Physics
|
October 2, 2009
Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree-Fock energies, and small subsets of the database
M Malshe, A Pukrittayakamee, L M Raff, et al.
The Journal of Chemical Physics
|
August 7, 2008
Parametrization of analytic interatomic potential functions using neural networks
M Malshe, R Narulkar, L M Raff, et al.
The Journal of Chemical Physics
|
April 10, 2009
Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks
A Pukrittayakamee, M Malshe, M Hagan, et al.
The Journal of Chemical Physics
|
October 9, 2007
Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feedforward neural networks. II. Numerical application of the method
M Malshe, L M Raff, M G Rockley, et al.
The Journal of Chemical Physics
|
April 20, 2005
Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks
L M Raff, M Malshe, M Hagan, et al.
The Journal of Chemical Physics
|
May 20, 2009
Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations
M Malshe, R Narulkar, L M Raff, et al.
The Journal of Physical Chemistry. A
|
January 7, 2009
A self-starting method for obtaining analytic potential-energy surfaces from ab initio electronic structure calculations
P M Agrawal, M Malshe, R Narulkar, et al.
Nature Materials
|
August 4, 2014
Dynamic layer rearrangement during growth of layered oxide films by molecular beam epitaxy
J H Lee, G Luo, I C Tung, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
June 3, 2010
Input vector optimization of feed-forward neural networks for fitting ab initio potential-energy databases
M Malshe, L M Raff, M Hagan, et al.
The Journal of Chemical Physics
|
October 2, 2009
Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree-Fock energies, and small subsets of the database
M Malshe, A Pukrittayakamee, L M Raff, et al.
The Journal of Chemical Physics
|
August 7, 2008
Parametrization of analytic interatomic potential functions using neural networks
M Malshe, R Narulkar, L M Raff, et al.
The Journal of Chemical Physics
|
April 10, 2009
Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks
A Pukrittayakamee, M Malshe, M Hagan, et al.
The Journal of Chemical Physics
|
October 9, 2007
Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feedforward neural networks. II. Numerical application of the method
M Malshe, L M Raff, M G Rockley, et al.
The Journal of Chemical Physics
|
April 20, 2005
Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks
L M Raff, M Malshe, M Hagan, et al.
The Journal of Chemical Physics
|
May 20, 2009
Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations
M Malshe, R Narulkar, L M Raff, et al.
The Journal of Physical Chemistry. A
|
January 7, 2009
A self-starting method for obtaining analytic potential-energy surfaces from ab initio electronic structure calculations
P M Agrawal, M Malshe, R Narulkar, et al.
Nature Materials
|
August 4, 2014
Dynamic layer rearrangement during growth of layered oxide films by molecular beam epitaxy
J H Lee, G Luo, I C Tung, et al.
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of 1