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The Journal of Physical Chemistry. B
|
April 17, 2009
Accurate methods for large molecular systems
Mark S Gordon, Jonathan M Mullin, Spencer R Pruitt, et al.
The Journal of Chemical Physics
|
August 22, 2024
LibERI-A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism
Melisa Alkan, Buu Q Pham, Daniel Del Angel Cruz, et al.
The Journal of Physical Chemistry. A
|
February 15, 2023
Quantum Chemical Modeling of Propellant Degradation
Jorge L Galvez Vallejo, Garrett M Tow, Edward J Maginn, et al.
Nanoscale
|
June 4, 2015
Ultra-fast electron capture by electrosterically-stabilized gold nanoparticles
Khashayar Ghandi, Alexander D Findlater, Zahid Mahimwalla, et al.
Journal of Chemical Theory and Computation
|
March 7, 2024
The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large Systems
Tosaporn Sattasathuchana, Peng Xu, Colleen Bertoni, et al.
Journal of Chemical Theory and Computation
|
November 15, 2021
Faster Self-Consistent Field (SCF) Calculations on GPU Clusters
Giuseppe M J Barca, Melisa Alkan, Jorge L Galvez-Vallejo, et al.
The Journal of Physical Chemistry. A
|
May 8, 2020
Novel Computer Architectures and Quantum Chemistry
Mark S Gordon, Giuseppe Barca, Sarom S Leang, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
July 22, 2009
Chlorine activation indoors and outdoors via surface-mediated reactions of nitrogen oxides with hydrogen chloride
Jonathan D Raff, Bosiljka Njegic, Wayne L Chang, et al.
The Journal of Chemical Physics
|
March 16, 2021
Computation of host-guest binding free energies with a new quantum mechanics based mining minima algorithm
Peng Xu, Tosaporn Sattasathuchana, Emilie Guidez, et al.
The Journal of Physical Chemistry. B
|
December 17, 2015
Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods
Ana P de Lima Batista, Federico Zahariev, Igor I Slowing, et al.
Page
of 26
Search research articles
Search
Showing results (231-240 of 258) with videos related to
Sort By:
Page
of 26
The Journal of Physical Chemistry. B
|
April 17, 2009
Accurate methods for large molecular systems
Mark S Gordon, Jonathan M Mullin, Spencer R Pruitt, et al.
The Journal of Chemical Physics
|
August 22, 2024
LibERI-A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism
Melisa Alkan, Buu Q Pham, Daniel Del Angel Cruz, et al.
The Journal of Physical Chemistry. A
|
February 15, 2023
Quantum Chemical Modeling of Propellant Degradation
Jorge L Galvez Vallejo, Garrett M Tow, Edward J Maginn, et al.
Nanoscale
|
June 4, 2015
Ultra-fast electron capture by electrosterically-stabilized gold nanoparticles
Khashayar Ghandi, Alexander D Findlater, Zahid Mahimwalla, et al.
Journal of Chemical Theory and Computation
|
March 7, 2024
The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large Systems
Tosaporn Sattasathuchana, Peng Xu, Colleen Bertoni, et al.
Journal of Chemical Theory and Computation
|
November 15, 2021
Faster Self-Consistent Field (SCF) Calculations on GPU Clusters
Giuseppe M J Barca, Melisa Alkan, Jorge L Galvez-Vallejo, et al.
The Journal of Physical Chemistry. A
|
May 8, 2020
Novel Computer Architectures and Quantum Chemistry
Mark S Gordon, Giuseppe Barca, Sarom S Leang, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
July 22, 2009
Chlorine activation indoors and outdoors via surface-mediated reactions of nitrogen oxides with hydrogen chloride
Jonathan D Raff, Bosiljka Njegic, Wayne L Chang, et al.
The Journal of Chemical Physics
|
March 16, 2021
Computation of host-guest binding free energies with a new quantum mechanics based mining minima algorithm
Peng Xu, Tosaporn Sattasathuchana, Emilie Guidez, et al.
The Journal of Physical Chemistry. B
|
December 17, 2015
Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods
Ana P de Lima Batista, Federico Zahariev, Igor I Slowing, et al.
Page
of 26