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The Journal of Chemical Physics
|
February 12, 2015
An efficient approach to ab initio Monte Carlo simulation
Jeff Leiding, Joshua D Coe
The Journal of Chemical Physics
|
May 9, 2016
Reactive Monte Carlo sampling with an ab initio potential
Jeff Leiding, Joshua D Coe
Polymers
|
April 10, 2019
Shock-Driven Decomposition of Polymers and Polymeric Foams
Dana M Dattelbaum, Joshua D Coe
The Journal of Physical Chemistry. A
|
January 13, 2006
Ab initio molecular dynamics of excited-state intramolecular proton transfer around a three-state conical intersection in malonaldehyde
Joshua D Coe, Todd J Martínez
Journal of the American Chemical Society
|
March 31, 2005
Competitive decay at two- and three-state conical intersections in excited-state intramolecular proton transfer
Joshua D Coe, Todd J Martínez
The Journal of Physical Chemistry. A
|
July 3, 2007
Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory
Joshua D Coe, Benjamin G Levine, Todd J Martínez
The Journal of Physical Chemistry. B
|
December 18, 2007
Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2)
Benjamin G Levine, Joshua D Coe, Todd J Martínez
The Journal of Chemical Physics
|
August 28, 2009
Nested Markov chain Monte Carlo sampling of a density functional theory potential: equilibrium thermodynamics of dense fluid nitrogen
Joshua D Coe, Thomas D Sewell, M Sam Shaw
The Journal of Chemical Physics
|
May 2, 2009
Optimal sampling efficiency in Monte Carlo simulation with an approximate potential
Joshua D Coe, Thomas D Sewell, M Sam Shaw
The Journal of Chemical Physics
|
April 10, 2009
An "optimal" spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics
Sandy Yang, Joshua D Coe, Benjamin Kaduk, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
February 12, 2015
An efficient approach to ab initio Monte Carlo simulation
Jeff Leiding, Joshua D Coe
The Journal of Chemical Physics
|
May 9, 2016
Reactive Monte Carlo sampling with an ab initio potential
Jeff Leiding, Joshua D Coe
Polymers
|
April 10, 2019
Shock-Driven Decomposition of Polymers and Polymeric Foams
Dana M Dattelbaum, Joshua D Coe
The Journal of Physical Chemistry. A
|
January 13, 2006
Ab initio molecular dynamics of excited-state intramolecular proton transfer around a three-state conical intersection in malonaldehyde
Joshua D Coe, Todd J Martínez
Journal of the American Chemical Society
|
March 31, 2005
Competitive decay at two- and three-state conical intersections in excited-state intramolecular proton transfer
Joshua D Coe, Todd J Martínez
The Journal of Physical Chemistry. A
|
July 3, 2007
Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory
Joshua D Coe, Benjamin G Levine, Todd J Martínez
The Journal of Physical Chemistry. B
|
December 18, 2007
Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2)
Benjamin G Levine, Joshua D Coe, Todd J Martínez
The Journal of Chemical Physics
|
August 28, 2009
Nested Markov chain Monte Carlo sampling of a density functional theory potential: equilibrium thermodynamics of dense fluid nitrogen
Joshua D Coe, Thomas D Sewell, M Sam Shaw
The Journal of Chemical Physics
|
May 2, 2009
Optimal sampling efficiency in Monte Carlo simulation with an approximate potential
Joshua D Coe, Thomas D Sewell, M Sam Shaw
The Journal of Chemical Physics
|
April 10, 2009
An "optimal" spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics
Sandy Yang, Joshua D Coe, Benjamin Kaduk, et al.
Page
of 2