Search research articles
Contact Us
Filters
Showing results (41-50 of 54) with videos related to
Page
of 6
Sort By:
Journal of Chemical Theory and Computation
|
May 19, 2020
Variational Principles in Quantum Monte Carlo: The Troubled Story of Variance Minimization
Alice Cuzzocrea, Anthony Scemama, Wim J Briels, et al.
Physical Review Letters
|
October 26, 2002
Quantum Monte Carlo calculations of H2 dissociation on Si(001)
Claudia Filippi, Sorcha B Healy, P Kratzer, et al.
Journal of Chemical Theory and Computation
|
October 31, 2022
Double Excitation Energies from Quantum Monte Carlo Using State-Specific Energy Optimization
Stuart Shepard, Ramón L Panadés-Barrueta, Saverio Moroni, et al.
The Journal of Chemical Physics
|
November 26, 2008
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions
Biswajit Santra, Angelos Michaelides, Martin Fuchs, et al.
Physical Review Letters
|
May 16, 2007
Alleviation of the Fermion-sign problem by optimization of many-body wave functions
C J Umrigar, Julien Toulouse, Claudia Filippi, et al.
The Journal of Chemical Physics
|
November 6, 2007
Troubleshooting time-dependent density-functional theory for photochemical applications: oxirane
Felipe Cordova, L Joubert Doriol, Andrei Ipatov, et al.
Journal of the American Society of Nephrology : JASN
|
June 24, 2003
Rituximab in idiopathic membranous nephropathy: a one-year prospective study
Piero Ruggenenti, Carlos Chiurchiu, Varusca Brusegan, et al.
Journal of Chemical Theory and Computation
|
March 10, 2016
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States
Riccardo Guareschi, Habiburrahman Zulfikri, Csaba Daday, et al.
The Journal of Chemical Physics
|
December 4, 2025
Monte Carlo methods, 70 years after "Equation of state calculations by fast computing machines" by Nicholas Metropolis, Arianna Rosenbluth, Marshall Rosenbluth, Augusta Teller, and Edward Teller (1953)
Edward J Maginn, J Ilja Siepmann, Kristen A Fichthorn, et al.
Journal of the American Chemical Society
|
April 11, 2019
Taming the Complexity of Donor-Acceptor Stenhouse Adducts: Infrared Motion Pictures of the Complete Switching Pathway
Habiburrahman Zulfikri, Mark A J Koenis, Michael M Lerch, et al.
Page
of 6
Search research articles
Search
Showing results (41-50 of 54) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
May 19, 2020
Variational Principles in Quantum Monte Carlo: The Troubled Story of Variance Minimization
Alice Cuzzocrea, Anthony Scemama, Wim J Briels, et al.
Physical Review Letters
|
October 26, 2002
Quantum Monte Carlo calculations of H2 dissociation on Si(001)
Claudia Filippi, Sorcha B Healy, P Kratzer, et al.
Journal of Chemical Theory and Computation
|
October 31, 2022
Double Excitation Energies from Quantum Monte Carlo Using State-Specific Energy Optimization
Stuart Shepard, Ramón L Panadés-Barrueta, Saverio Moroni, et al.
The Journal of Chemical Physics
|
November 26, 2008
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions
Biswajit Santra, Angelos Michaelides, Martin Fuchs, et al.
Physical Review Letters
|
May 16, 2007
Alleviation of the Fermion-sign problem by optimization of many-body wave functions
C J Umrigar, Julien Toulouse, Claudia Filippi, et al.
The Journal of Chemical Physics
|
November 6, 2007
Troubleshooting time-dependent density-functional theory for photochemical applications: oxirane
Felipe Cordova, L Joubert Doriol, Andrei Ipatov, et al.
Journal of the American Society of Nephrology : JASN
|
June 24, 2003
Rituximab in idiopathic membranous nephropathy: a one-year prospective study
Piero Ruggenenti, Carlos Chiurchiu, Varusca Brusegan, et al.
Journal of Chemical Theory and Computation
|
March 10, 2016
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States
Riccardo Guareschi, Habiburrahman Zulfikri, Csaba Daday, et al.
The Journal of Chemical Physics
|
December 4, 2025
Monte Carlo methods, 70 years after "Equation of state calculations by fast computing machines" by Nicholas Metropolis, Arianna Rosenbluth, Marshall Rosenbluth, Augusta Teller, and Edward Teller (1953)
Edward J Maginn, J Ilja Siepmann, Kristen A Fichthorn, et al.
Journal of the American Chemical Society
|
April 11, 2019
Taming the Complexity of Donor-Acceptor Stenhouse Adducts: Infrared Motion Pictures of the Complete Switching Pathway
Habiburrahman Zulfikri, Mark A J Koenis, Michael M Lerch, et al.
Page
of 6