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

Biswajit Santra

Showing results (1-10 of 29) with videos related to

Pageof 3
Sort By:
The Journal of Chemical Physics|May 10, 2019
Perdew-Zunger self-interaction correction: How wrong for uniform densities and large-Z atoms?Biswajit Santra, John P Perdew
The Journal of Chemical Physics|November 21, 2007
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limitBiswajit Santra, Angelos Michaelides, Matthias Scheffler
The Journal of Chemical Physics|October 2, 2009
Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: the importance of monomer deformationsBiswajit Santra, Angelos Michaelides, Matthias Scheffler
Scientific Reports|January 11, 2017
In situ Characterization of Nanoparticles Using Rayleigh ScatteringBiswajit Santra, Mikhail N Shneider, Roberto Car
Journal of Chemical Theory and Computation|November 15, 2021
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based <i>Ab Initio</i> Molecular Dynamics II: Extensions to the Isobaric-Isoenthalpic and Isobaric-Isothermal EnsemblesHsin-Yu Ko, Biswajit Santra, Robert A DiStasio
Physical Review Letters|March 17, 2011
To wet or not to wet? Dispersion forces tip the balance for water ice on metalsJavier Carrasco, Biswajit Santra, Jiří Klimeš, et al.
The Journal of Chemical Physics|September 1, 2014
The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid waterRobert A DiStasio, Biswajit Santra, Zhaofeng Li, 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 interactionsBiswajit Santra, Angelos Michaelides, Martin Fuchs, et al.
Journal of Chemical Theory and Computation|February 12, 2020
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based <i>Ab Initio</i> Molecular Dynamics. 1. Theory, Algorithm, and PerformanceHsin-Yu Ko, Junteng Jia, Biswajit Santra, et al.
The Journal of Chemical Physics|May 3, 2018
Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensembleLixin Zheng, Mohan Chen, Zhaoru Sun, et al.
Pageof 3

Showing results (1-10 of 29) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|May 10, 2019
Perdew-Zunger self-interaction correction: How wrong for uniform densities and large-Z atoms?Biswajit Santra, John P Perdew
The Journal of Chemical Physics|November 21, 2007
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limitBiswajit Santra, Angelos Michaelides, Matthias Scheffler
The Journal of Chemical Physics|October 2, 2009
Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: the importance of monomer deformationsBiswajit Santra, Angelos Michaelides, Matthias Scheffler
Scientific Reports|January 11, 2017
In situ Characterization of Nanoparticles Using Rayleigh ScatteringBiswajit Santra, Mikhail N Shneider, Roberto Car
Journal of Chemical Theory and Computation|November 15, 2021
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based <i>Ab Initio</i> Molecular Dynamics II: Extensions to the Isobaric-Isoenthalpic and Isobaric-Isothermal EnsemblesHsin-Yu Ko, Biswajit Santra, Robert A DiStasio
Physical Review Letters|March 17, 2011
To wet or not to wet? Dispersion forces tip the balance for water ice on metalsJavier Carrasco, Biswajit Santra, Jiří Klimeš, et al.
The Journal of Chemical Physics|September 1, 2014
The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid waterRobert A DiStasio, Biswajit Santra, Zhaofeng Li, 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 interactionsBiswajit Santra, Angelos Michaelides, Martin Fuchs, et al.
Journal of Chemical Theory and Computation|February 12, 2020
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based <i>Ab Initio</i> Molecular Dynamics. 1. Theory, Algorithm, and PerformanceHsin-Yu Ko, Junteng Jia, Biswajit Santra, et al.
The Journal of Chemical Physics|May 3, 2018
Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensembleLixin Zheng, Mohan Chen, Zhaoru Sun, et al.
Pageof 3