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Joost VandeVondele

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

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Physical Chemistry Chemical Physics : PCCP|November 1, 2014
The nature of excess electrons in anatase and rutile from hybrid DFT and RPAClelia Spreafico, Joost VandeVondele
Physical Chemistry Chemical Physics : PCCP|October 1, 2009
A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methodsJoost VandeVondele, Michiel Sprik
The Journal of Chemical Physics|July 3, 2015
Efficient preconditioning of the electronic structure problem in large scale ab initio molecular dynamics simulationsFlorian Schiffmann, Joost VandeVondele
The Journal of Chemical Physics|September 25, 2007
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phasesJoost VandeVondele, Jürg Hutter
Journal of the American Chemical Society|July 4, 2002
Accelerating rare reactive events by means of a finite electronic temperatureJoost VandeVondele, Ursula Rothlisberger
Physical Review Letters|March 12, 2016
Calculation of Electrochemical Energy Levels in Water Using the Random Phase Approximation and a Double Hybrid FunctionalJun Cheng, Joost VandeVondele
Journal of Chemical Theory and Computation|June 30, 2018
Machine Learning Adaptive Basis Sets for Efficient Large Scale Density Functional Theory SimulationOle Schütt, Joost VandeVondele
The Journal of Chemical Physics|July 5, 2011
A comparison of accelerators for direct energy minimization in electronic structure calculationsKurt Baarman, Joost VandeVondele
The Journal of Physical Chemistry Letters|March 16, 2017
Nuclear Quantum Effects on Aqueous Electron Attachment and Redox PropertiesVladimir V Rybkin, Joost VandeVondele
Journal of Chemical Theory and Computation|March 29, 2016
Spin-Unrestricted Second-Order Møller-Plesset (MP2) Forces for the Condensed Phase: From Molecular Radicals to F-Centers in SolidsVladimir V Rybkin, Joost VandeVondele
Pageof 7

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

Sort By:
Pageof 7
Physical Chemistry Chemical Physics : PCCP|November 1, 2014
The nature of excess electrons in anatase and rutile from hybrid DFT and RPAClelia Spreafico, Joost VandeVondele
Physical Chemistry Chemical Physics : PCCP|October 1, 2009
A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methodsJoost VandeVondele, Michiel Sprik
The Journal of Chemical Physics|July 3, 2015
Efficient preconditioning of the electronic structure problem in large scale ab initio molecular dynamics simulationsFlorian Schiffmann, Joost VandeVondele
The Journal of Chemical Physics|September 25, 2007
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phasesJoost VandeVondele, Jürg Hutter
Journal of the American Chemical Society|July 4, 2002
Accelerating rare reactive events by means of a finite electronic temperatureJoost VandeVondele, Ursula Rothlisberger
Physical Review Letters|March 12, 2016
Calculation of Electrochemical Energy Levels in Water Using the Random Phase Approximation and a Double Hybrid FunctionalJun Cheng, Joost VandeVondele
Journal of Chemical Theory and Computation|June 30, 2018
Machine Learning Adaptive Basis Sets for Efficient Large Scale Density Functional Theory SimulationOle Schütt, Joost VandeVondele
The Journal of Chemical Physics|July 5, 2011
A comparison of accelerators for direct energy minimization in electronic structure calculationsKurt Baarman, Joost VandeVondele
The Journal of Physical Chemistry Letters|March 16, 2017
Nuclear Quantum Effects on Aqueous Electron Attachment and Redox PropertiesVladimir V Rybkin, Joost VandeVondele
Journal of Chemical Theory and Computation|March 29, 2016
Spin-Unrestricted Second-Order Møller-Plesset (MP2) Forces for the Condensed Phase: From Molecular Radicals to F-Centers in SolidsVladimir V Rybkin, Joost VandeVondele
Pageof 7