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

Hiromi Nakai

Showing results (1-10 of 197) with videos related to

Pageof 20
Sort By:
Journal of Computational Chemistry|July 26, 2016
Informatics-Based Energy Fitting Scheme for Correlation Energy at Complete Basis Set LimitJunji Seino, Hiromi Nakai
Journal of Computational Chemistry|April 25, 2008
Energy density analysis for second-order Møller-Plesset perturbation theory and coupled-cluster theory with singles and doubles: application to C2H4--CH4 complexesYutaka Imamura, Hiromi Nakai
Journal of Computational Chemistry|March 22, 2006
Energy density analysis of cluster size dependence of surface-molecule interactions (II): formate adsorption onto a Cu(111) surfaceHiromi Nakai, Yasuaki Kikuchi
The Journal of Chemical Physics|February 8, 2013
An effective energy gradient expression for divide-and-conquer second-order Møller-Plesset perturbation theoryMasato Kobayashi, Hiromi Nakai
The Journal of Chemical Physics|April 27, 2023
Enabling large-scale quantum path integral molecular dynamics simulations through the integration of Dcdftbmd and i-PI codesYoshifumi Nishimura, Hiromi Nakai
The Journal of Chemical Physics|November 10, 2014
Quantum chemical approach for condensed-phase thermochemistry: proposal of a harmonic solvation modelHiromi Nakai, Atsushi Ishikawa
Journal of Computational Chemistry|October 20, 2017
Parallel implementation of efficient charge-charge interaction evaluation scheme in periodic divide-and-conquer density-functional tight-binding calculationsYoshifumi Nishimura, Hiromi Nakai
The Journal of Chemical Physics|October 16, 2012
Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interactionJunji Seino, Hiromi Nakai
The Journal of Chemical Physics|February 8, 2023
Species-selective nanoreactor molecular dynamics simulations based on linear-scaling tight-binding quantum chemical calculationsYoshifumi Nishimura, Hiromi Nakai
Journal of Computational Chemistry|November 14, 2014
Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing unitsTakeshi Yoshikawa, Hiromi Nakai
Pageof 20

Showing results (1-10 of 197) with videos related to

Sort By:
Pageof 20
Journal of Computational Chemistry|July 26, 2016
Informatics-Based Energy Fitting Scheme for Correlation Energy at Complete Basis Set LimitJunji Seino, Hiromi Nakai
Journal of Computational Chemistry|April 25, 2008
Energy density analysis for second-order Møller-Plesset perturbation theory and coupled-cluster theory with singles and doubles: application to C2H4--CH4 complexesYutaka Imamura, Hiromi Nakai
Journal of Computational Chemistry|March 22, 2006
Energy density analysis of cluster size dependence of surface-molecule interactions (II): formate adsorption onto a Cu(111) surfaceHiromi Nakai, Yasuaki Kikuchi
The Journal of Chemical Physics|February 8, 2013
An effective energy gradient expression for divide-and-conquer second-order Møller-Plesset perturbation theoryMasato Kobayashi, Hiromi Nakai
The Journal of Chemical Physics|April 27, 2023
Enabling large-scale quantum path integral molecular dynamics simulations through the integration of Dcdftbmd and i-PI codesYoshifumi Nishimura, Hiromi Nakai
The Journal of Chemical Physics|November 10, 2014
Quantum chemical approach for condensed-phase thermochemistry: proposal of a harmonic solvation modelHiromi Nakai, Atsushi Ishikawa
Journal of Computational Chemistry|October 20, 2017
Parallel implementation of efficient charge-charge interaction evaluation scheme in periodic divide-and-conquer density-functional tight-binding calculationsYoshifumi Nishimura, Hiromi Nakai
The Journal of Chemical Physics|October 16, 2012
Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interactionJunji Seino, Hiromi Nakai
The Journal of Chemical Physics|February 8, 2023
Species-selective nanoreactor molecular dynamics simulations based on linear-scaling tight-binding quantum chemical calculationsYoshifumi Nishimura, Hiromi Nakai
Journal of Computational Chemistry|November 14, 2014
Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing unitsTakeshi Yoshikawa, Hiromi Nakai
Pageof 20