Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Andrew C Simmonett

Showing results (1-10 of 64) with videos related to

Pageof 7
Sort By:
The Journal of Chemical Physics|March 16, 2021
Analytical Hessians for Ewald and particle mesh Ewald electrostaticsAndrew C Simmonett, Bernard R Brooks
The Journal of Chemical Physics|February 9, 2021
A compression strategy for particle mesh Ewald theoryAndrew C Simmonett, Bernard R Brooks
The Journal of Chemical Physics|May 15, 2024
Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4, and Tinker-HPJorge Nochebuena, Andrew C Simmonett, G Andrés Cisneros
Physical Chemistry Chemical Physics : PCCP|November 25, 2010
The benzene+OH potential energy surface: intermediates and transition statesDavid S Hollman, Andrew C Simmonett, Henry F Schaefer
The Journal of Chemical Physics|June 10, 2025
Efficient and scalable electrostatics via spherical grids and treecode summationAndrew C Simmonett, Bernard R Brooks, Thomas A Darden
The Journal of Chemical Physics|January 17, 2013
Density cumulant functional theory: the DC-12 method, an improved description of the one-particle density matrixAlexander Yu Sokolov, Andrew C Simmonett, Henry F Schaefer
The Journal of Physical Chemistry. A|April 21, 2007
Renner-Teller bending frequencies of the approximately A 2Pi state of OCS+Steven E Wheeler, Andrew C Simmonett, Henry F Schaefer
The Journal of Chemical Physics|February 5, 2009
Enthalpy of formation and anharmonic force field of diacetyleneAndrew C Simmonett, Henry F Schaefer, Wesley D Allen
The Journal of Chemical Physics|November 9, 2010
Density cumulant functional theory: first implementation and benchmark results for the DCFT-06 modelAndrew C Simmonett, Jeremiah J Wilke, Henry F Schaefer, et al.
Journal of Computational Chemistry|May 12, 2021
The Extended Eighth-Shell method for periodic boundary conditions with rotational symmetrySamarjeet Prasad, Andrew C Simmonett, Rubén Meana-Pañeda, et al.
Pageof 7

Showing results (1-10 of 64) with videos related to

Sort By:
Pageof 7
The Journal of Chemical Physics|March 16, 2021
Analytical Hessians for Ewald and particle mesh Ewald electrostaticsAndrew C Simmonett, Bernard R Brooks
The Journal of Chemical Physics|February 9, 2021
A compression strategy for particle mesh Ewald theoryAndrew C Simmonett, Bernard R Brooks
The Journal of Chemical Physics|May 15, 2024
Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4, and Tinker-HPJorge Nochebuena, Andrew C Simmonett, G Andrés Cisneros
Physical Chemistry Chemical Physics : PCCP|November 25, 2010
The benzene+OH potential energy surface: intermediates and transition statesDavid S Hollman, Andrew C Simmonett, Henry F Schaefer
The Journal of Chemical Physics|June 10, 2025
Efficient and scalable electrostatics via spherical grids and treecode summationAndrew C Simmonett, Bernard R Brooks, Thomas A Darden
The Journal of Chemical Physics|January 17, 2013
Density cumulant functional theory: the DC-12 method, an improved description of the one-particle density matrixAlexander Yu Sokolov, Andrew C Simmonett, Henry F Schaefer
The Journal of Physical Chemistry. A|April 21, 2007
Renner-Teller bending frequencies of the approximately A 2Pi state of OCS+Steven E Wheeler, Andrew C Simmonett, Henry F Schaefer
The Journal of Chemical Physics|February 5, 2009
Enthalpy of formation and anharmonic force field of diacetyleneAndrew C Simmonett, Henry F Schaefer, Wesley D Allen
The Journal of Chemical Physics|November 9, 2010
Density cumulant functional theory: first implementation and benchmark results for the DCFT-06 modelAndrew C Simmonett, Jeremiah J Wilke, Henry F Schaefer, et al.
Journal of Computational Chemistry|May 12, 2021
The Extended Eighth-Shell method for periodic boundary conditions with rotational symmetrySamarjeet Prasad, Andrew C Simmonett, Rubén Meana-Pañeda, et al.
Pageof 7