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Daniel Sheppard

Showing results (1-10 of 14) with videos related to

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Journal of Computational Chemistry|February 18, 2011
Paths to which the nudged elastic band convergesDaniel Sheppard, Graeme Henkelman
The Journal of Chemical Physics|April 10, 2008
Optimization methods for finding minimum energy pathsDaniel Sheppard, Rye Terrell, Graeme Henkelman
The Journal of Chemical Physics|May 10, 2014
Solid-state dimer method for calculating solid-solid phase transitionsPenghao Xiao, Daniel Sheppard, Jutta Rogal, et al.
The Journal of Chemical Physics|September 7, 2010
Alchemical derivatives of reaction energeticsDaniel Sheppard, Graeme Henkelman, O Anatole von Lilienfeld
The Journal of Chemical Physics|February 25, 2012
A generalized solid-state nudged elastic band methodDaniel Sheppard, Penghao Xiao, William Chemelewski, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|January 24, 2015
Combining Kohn-Sham and orbital-free density-functional theory for Hugoniot calculations to extreme pressuresDaniel Sheppard, Joel D Kress, Scott Crockett, et al.
The Journal of Chemical Physics|May 16, 2012
Optimizing transition states via kernel-based machine learningZachary D Pozun, Katja Hansen, Daniel Sheppard, et al.
Inorganic Chemistry|June 25, 2002
Carbon dioxide as a solubility "switch" for the reversible dissolution of highly fluorinated complexes and reagents in organic solvents: application to crystallizationPhilip G Jessop, Marilyn M Olmstead, Christopher D Ablan, et al.
Journal of the American Chemical Society|June 20, 2008
Intrinsic diffusion of hydrogen on rutile TiO2(110)Shao-Chun Li, Zhenrong Zhang, Daniel Sheppard, et al.
Nucleic Acids Research|December 22, 2015
Ensembl 2016Andrew Yates, Wasiu Akanni, M Ridwan Amode, et al.
Pageof 2

Showing results (1-10 of 14) with videos related to

Sort By:
Pageof 2
Journal of Computational Chemistry|February 18, 2011
Paths to which the nudged elastic band convergesDaniel Sheppard, Graeme Henkelman
The Journal of Chemical Physics|April 10, 2008
Optimization methods for finding minimum energy pathsDaniel Sheppard, Rye Terrell, Graeme Henkelman
The Journal of Chemical Physics|May 10, 2014
Solid-state dimer method for calculating solid-solid phase transitionsPenghao Xiao, Daniel Sheppard, Jutta Rogal, et al.
The Journal of Chemical Physics|September 7, 2010
Alchemical derivatives of reaction energeticsDaniel Sheppard, Graeme Henkelman, O Anatole von Lilienfeld
The Journal of Chemical Physics|February 25, 2012
A generalized solid-state nudged elastic band methodDaniel Sheppard, Penghao Xiao, William Chemelewski, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|January 24, 2015
Combining Kohn-Sham and orbital-free density-functional theory for Hugoniot calculations to extreme pressuresDaniel Sheppard, Joel D Kress, Scott Crockett, et al.
The Journal of Chemical Physics|May 16, 2012
Optimizing transition states via kernel-based machine learningZachary D Pozun, Katja Hansen, Daniel Sheppard, et al.
Inorganic Chemistry|June 25, 2002
Carbon dioxide as a solubility "switch" for the reversible dissolution of highly fluorinated complexes and reagents in organic solvents: application to crystallizationPhilip G Jessop, Marilyn M Olmstead, Christopher D Ablan, et al.
Journal of the American Chemical Society|June 20, 2008
Intrinsic diffusion of hydrogen on rutile TiO2(110)Shao-Chun Li, Zhenrong Zhang, Daniel Sheppard, et al.
Nucleic Acids Research|December 22, 2015
Ensembl 2016Andrew Yates, Wasiu Akanni, M Ridwan Amode, et al.
Pageof 2