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

Roberto Car

Showing results (81-90 of 122) with videos related to

Pageof 13
Sort By:
Physical Review Letters|March 16, 2007
Quasi-one-dimensional K-O chain in PTCDA thin films: evidence from first-principles calculationsCostantino Zazza, Simone Meloni, Amedeo Palma, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 8, 2022
Homogeneous ice nucleation in an ab initio machine-learning model of waterPablo M Piaggi, Jack Weis, Athanassios Z Panagiotopoulos, et al.
The Journal of Physical Chemistry. B|October 2, 2008
Mechanism of H2 production by the [FeFe]H subcluster of di-iron hydrogenases: implications for abiotic catalystsCarlo Sbraccia, Federico Zipoli, Roberto Car, et al.
The Journal of Chemical Physics|December 25, 2016
Performance of a nonempirical density functional on molecules and hydrogen-bonded complexesYuxiang Mo, Guocai Tian, Roberto Car, et al.
Physical Review Letters|January 6, 2023
Liquid-Liquid Transition in Water from First PrinciplesThomas E Gartner, Pablo M Piaggi, Roberto Car, 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.
Chemical Science|June 15, 2018
Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactionsMartin A Blood-Forsythe, Thomas Markovich, Robert A DiStasio, et al.
Biophysical Journal|January 25, 2002
A classical and ab initio study of the interaction of the myosin triphosphate binding domain with ATPTodd J Minehardt, Nicola Marzari, Roger Cooke, et al.
The Journal of Chemical Physics|April 2, 2022
A deep potential model with long-range electrostatic interactionsLinfeng Zhang, Han Wang, Maria Carolina Muniz, et al.
Journal of the American Chemical Society|April 6, 2006
Orbital energetics and molecular recognitionAaron George, Yonas Abraham, Carlo Sbraccia, et al.
Pageof 13

Showing results (81-90 of 122) with videos related to

Sort By:
Pageof 13
Physical Review Letters|March 16, 2007
Quasi-one-dimensional K-O chain in PTCDA thin films: evidence from first-principles calculationsCostantino Zazza, Simone Meloni, Amedeo Palma, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 8, 2022
Homogeneous ice nucleation in an ab initio machine-learning model of waterPablo M Piaggi, Jack Weis, Athanassios Z Panagiotopoulos, et al.
The Journal of Physical Chemistry. B|October 2, 2008
Mechanism of H2 production by the [FeFe]H subcluster of di-iron hydrogenases: implications for abiotic catalystsCarlo Sbraccia, Federico Zipoli, Roberto Car, et al.
The Journal of Chemical Physics|December 25, 2016
Performance of a nonempirical density functional on molecules and hydrogen-bonded complexesYuxiang Mo, Guocai Tian, Roberto Car, et al.
Physical Review Letters|January 6, 2023
Liquid-Liquid Transition in Water from First PrinciplesThomas E Gartner, Pablo M Piaggi, Roberto Car, 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.
Chemical Science|June 15, 2018
Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactionsMartin A Blood-Forsythe, Thomas Markovich, Robert A DiStasio, et al.
Biophysical Journal|January 25, 2002
A classical and ab initio study of the interaction of the myosin triphosphate binding domain with ATPTodd J Minehardt, Nicola Marzari, Roger Cooke, et al.
The Journal of Chemical Physics|April 2, 2022
A deep potential model with long-range electrostatic interactionsLinfeng Zhang, Han Wang, Maria Carolina Muniz, et al.
Journal of the American Chemical Society|April 6, 2006
Orbital energetics and molecular recognitionAaron George, Yonas Abraham, Carlo Sbraccia, et al.
Pageof 13