Search research articles
Contact Us
Filters
Showing results (1-10 of 10) with videos related to
Page
of 1
Sort By:
Journal of Chemical Theory and Computation
|
July 28, 2016
Analytic Gradients for the Effective Fragment Molecular Orbital Method
Colleen Bertoni, Mark S Gordon
ACS Macro Letters
|
May 19, 2022
Mechanisms Underlying Ion Transport in Lamellar Block Copolymer Membranes
Venkat Ganesan, Victor Pyramitsyn, Colleen Bertoni, et al.
Journal of Computational Chemistry
|
March 29, 2019
Valence : A Massively Parallel Implementation of the Variational Subspace Valence Bond Method
Graham D Fletcher, Colleen Bertoni, Murat Keçeli, et al.
The Journal of Chemical Physics
|
October 1, 2022
Prediction of correlation energies using variational subspace valence bond
Graham D Fletcher, Colleen Bertoni, Murat Keceli, et al.
The Journal of Physical Chemistry. A
|
February 18, 2017
Multipole Moments in the Effective Fragment Potential Method
Colleen Bertoni, Lyudmila V Slipchenko, Alston J Misquitta, et al.
Accounts of Chemical Research
|
May 10, 2014
Efficient and accurate fragmentation methods
Spencer R Pruitt, Colleen Bertoni, Kurt R Brorsen, 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.
The Journal of Chemical Physics
|
April 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method
Buu Q Pham, Laura Carrington, Ananta Tiwari, et al.
Journal of Chemical Theory and Computation
|
October 4, 2023
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures
Federico Zahariev, Peng Xu, Bryce M Westheimer, et al.
The Journal of Chemical Physics
|
April 24, 2020
Recent developments in the general atomic and molecular electronic structure system
Giuseppe M J Barca, Colleen Bertoni, Laura Carrington, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
July 28, 2016
Analytic Gradients for the Effective Fragment Molecular Orbital Method
Colleen Bertoni, Mark S Gordon
ACS Macro Letters
|
May 19, 2022
Mechanisms Underlying Ion Transport in Lamellar Block Copolymer Membranes
Venkat Ganesan, Victor Pyramitsyn, Colleen Bertoni, et al.
Journal of Computational Chemistry
|
March 29, 2019
Valence : A Massively Parallel Implementation of the Variational Subspace Valence Bond Method
Graham D Fletcher, Colleen Bertoni, Murat Keçeli, et al.
The Journal of Chemical Physics
|
October 1, 2022
Prediction of correlation energies using variational subspace valence bond
Graham D Fletcher, Colleen Bertoni, Murat Keceli, et al.
The Journal of Physical Chemistry. A
|
February 18, 2017
Multipole Moments in the Effective Fragment Potential Method
Colleen Bertoni, Lyudmila V Slipchenko, Alston J Misquitta, et al.
Accounts of Chemical Research
|
May 10, 2014
Efficient and accurate fragmentation methods
Spencer R Pruitt, Colleen Bertoni, Kurt R Brorsen, 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.
The Journal of Chemical Physics
|
April 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method
Buu Q Pham, Laura Carrington, Ananta Tiwari, et al.
Journal of Chemical Theory and Computation
|
October 4, 2023
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures
Federico Zahariev, Peng Xu, Bryce M Westheimer, et al.
The Journal of Chemical Physics
|
April 24, 2020
Recent developments in the general atomic and molecular electronic structure system
Giuseppe M J Barca, Colleen Bertoni, Laura Carrington, et al.
Page
of 1