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Patrick Bleiziffer

Showing results (1-10 of 13) with videos related to

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Journal of Chemical Information and Modeling|February 21, 2018
Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical CalculationsPatrick Bleiziffer, Kay Schaller, Sereina Riniker
Physical Review Letters|October 15, 2016
Power Series Approximation for the Correlation Kernel Leading to Kohn-Sham Methods Combining Accuracy, Computational Efficiency, and General ApplicabilityJannis Erhard, Patrick Bleiziffer, Andreas Görling
Journal of Chemical Information and Modeling|March 20, 2023
Correction to "Machine Learning of Partial Charges Derived From High-Quality Quantum-Mechanical Calculations"Patrick Bleiziffer, Kay Schaller, Sereina Riniker
The Journal of Chemical Physics|July 3, 2015
Self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation theorem and the exact-exchange kernelPatrick Bleiziffer, Marcel Krug, Andreas Görling
The Journal of Chemical Physics|November 29, 2014
Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theoremPatrick Bleiziffer, Daniel Schmidtel, Andreas Görling
The Journal of Chemical Physics|September 7, 2013
Efficient self-consistent treatment of electron correlation within the random phase approximationPatrick Bleiziffer, Andreas Heßelmann, Andreas Görling
The Journal of Chemical Physics|April 10, 2012
Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximationPatrick Bleiziffer, Andreas Hesselmann, Andreas Görling
Journal of Chemical Theory and Computation|February 26, 2019
Beyond the Rosenfeld Equation: Computation of Vibrational Circular Dichroism Spectra for Anisotropic SolutionsDominik Sidler, Patrick Bleiziffer, Sereina Riniker
Chimia|December 30, 2019
Machine Learning with and for Molecular Dynamics SimulationsSereina Riniker, Shuzhe Wang, Patrick Bleiziffer, et al.
Physical Chemistry Chemical Physics : PCCP|February 7, 2014
Hydrogen storage on metal oxide model clusters using density-functional methods and reliable van der Waals correctionsJulian Gebhardt, Francesc Viñes, Patrick Bleiziffer, et al.
Pageof 2

Showing results (1-10 of 13) with videos related to

Sort By:
Pageof 2
Journal of Chemical Information and Modeling|February 21, 2018
Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical CalculationsPatrick Bleiziffer, Kay Schaller, Sereina Riniker
Physical Review Letters|October 15, 2016
Power Series Approximation for the Correlation Kernel Leading to Kohn-Sham Methods Combining Accuracy, Computational Efficiency, and General ApplicabilityJannis Erhard, Patrick Bleiziffer, Andreas Görling
Journal of Chemical Information and Modeling|March 20, 2023
Correction to "Machine Learning of Partial Charges Derived From High-Quality Quantum-Mechanical Calculations"Patrick Bleiziffer, Kay Schaller, Sereina Riniker
The Journal of Chemical Physics|July 3, 2015
Self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation theorem and the exact-exchange kernelPatrick Bleiziffer, Marcel Krug, Andreas Görling
The Journal of Chemical Physics|November 29, 2014
Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theoremPatrick Bleiziffer, Daniel Schmidtel, Andreas Görling
The Journal of Chemical Physics|September 7, 2013
Efficient self-consistent treatment of electron correlation within the random phase approximationPatrick Bleiziffer, Andreas Heßelmann, Andreas Görling
The Journal of Chemical Physics|April 10, 2012
Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximationPatrick Bleiziffer, Andreas Hesselmann, Andreas Görling
Journal of Chemical Theory and Computation|February 26, 2019
Beyond the Rosenfeld Equation: Computation of Vibrational Circular Dichroism Spectra for Anisotropic SolutionsDominik Sidler, Patrick Bleiziffer, Sereina Riniker
Chimia|December 30, 2019
Machine Learning with and for Molecular Dynamics SimulationsSereina Riniker, Shuzhe Wang, Patrick Bleiziffer, et al.
Physical Chemistry Chemical Physics : PCCP|February 7, 2014
Hydrogen storage on metal oxide model clusters using density-functional methods and reliable van der Waals correctionsJulian Gebhardt, Francesc Viñes, Patrick Bleiziffer, et al.
Pageof 2