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Nature
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September 25, 2010
Physical chemistry: Seaming is believing
Todd J Martinez
The Journal of Chemical Physics
|
August 11, 2020
A multilayer multi-configurational approach to efficiently simulate large-scale circuit-based quantum computers on classical machines
Roman Ellerbrock, Todd J Martinez
Journal of Chemical Theory and Computation
|
December 4, 2015
Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics
Ivan S Ufimtsev, Todd J Martinez
Journal of Chemical Theory and Computation
|
November 27, 2015
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field (SCF) Implementation
Ivan S Ufimtsev, Todd J Martinez
Journal of Chemical Theory and Computation
|
November 27, 2015
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation
Ivan S Ufimtsev, Todd J Martinez
The Journal of Chemical Physics
|
April 9, 2024
Massively scalable workflows for quantum chemistry: BigChem and ChemCloud
Colton B Hicks, Todd J Martinez
The Journal of Physical Chemistry. B
|
December 19, 2015
Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base
Lihong Liu, Jian Liu, Todd J Martinez
Accounts of Chemical Research
|
September 5, 2014
Ab initio nonadiabatic dynamics of multichromophore complexes: a scalable graphical-processing-unit-accelerated exciton framework
Aaron Sisto, David R Glowacki, Todd J Martinez
Accounts of Chemical Research
|
June 3, 2016
Correction to "Toward Nonadiabatic Dynamics of Multichromophore Complexes: A Scalable GPU-Accelerated Exciton Framework
Aaron Sisto, David R Glowacki, Todd J Martinez
Journal of the American Chemical Society
|
March 15, 2023
A Nitrogen Out-of-Plane (NOOP) Mechanism for Imine-Based Light-Driven Molecular Motors
Lihong Liu, Wei-Hai Fang, Todd J Martinez
Page
of 7
Search research articles
Search
Showing results (1-10 of 65) with videos related to
Sort By:
Page
of 7
Nature
|
September 25, 2010
Physical chemistry: Seaming is believing
Todd J Martinez
The Journal of Chemical Physics
|
August 11, 2020
A multilayer multi-configurational approach to efficiently simulate large-scale circuit-based quantum computers on classical machines
Roman Ellerbrock, Todd J Martinez
Journal of Chemical Theory and Computation
|
December 4, 2015
Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics
Ivan S Ufimtsev, Todd J Martinez
Journal of Chemical Theory and Computation
|
November 27, 2015
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field (SCF) Implementation
Ivan S Ufimtsev, Todd J Martinez
Journal of Chemical Theory and Computation
|
November 27, 2015
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation
Ivan S Ufimtsev, Todd J Martinez
The Journal of Chemical Physics
|
April 9, 2024
Massively scalable workflows for quantum chemistry: BigChem and ChemCloud
Colton B Hicks, Todd J Martinez
The Journal of Physical Chemistry. B
|
December 19, 2015
Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base
Lihong Liu, Jian Liu, Todd J Martinez
Accounts of Chemical Research
|
September 5, 2014
Ab initio nonadiabatic dynamics of multichromophore complexes: a scalable graphical-processing-unit-accelerated exciton framework
Aaron Sisto, David R Glowacki, Todd J Martinez
Accounts of Chemical Research
|
June 3, 2016
Correction to "Toward Nonadiabatic Dynamics of Multichromophore Complexes: A Scalable GPU-Accelerated Exciton Framework
Aaron Sisto, David R Glowacki, Todd J Martinez
Journal of the American Chemical Society
|
March 15, 2023
A Nitrogen Out-of-Plane (NOOP) Mechanism for Imine-Based Light-Driven Molecular Motors
Lihong Liu, Wei-Hai Fang, Todd J Martinez
Page
of 7