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Journal of Chemical Information and Modeling
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February 21, 2018
Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical Calculations
Patrick 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 Applicability
Jannis 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 kernel
Patrick 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 theorem
Patrick Bleiziffer, Daniel Schmidtel, Andreas Görling
The Journal of Chemical Physics
|
September 7, 2013
Efficient self-consistent treatment of electron correlation within the random phase approximation
Patrick 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 approximation
Patrick 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 Solutions
Dominik Sidler, Patrick Bleiziffer, Sereina Riniker
Chimia
|
December 30, 2019
Machine Learning with and for Molecular Dynamics Simulations
Sereina 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 corrections
Julian Gebhardt, Francesc Viñes, Patrick Bleiziffer, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
February 21, 2018
Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical Calculations
Patrick 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 Applicability
Jannis 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 kernel
Patrick 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 theorem
Patrick Bleiziffer, Daniel Schmidtel, Andreas Görling
The Journal of Chemical Physics
|
September 7, 2013
Efficient self-consistent treatment of electron correlation within the random phase approximation
Patrick 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 approximation
Patrick 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 Solutions
Dominik Sidler, Patrick Bleiziffer, Sereina Riniker
Chimia
|
December 30, 2019
Machine Learning with and for Molecular Dynamics Simulations
Sereina 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 corrections
Julian Gebhardt, Francesc Viñes, Patrick Bleiziffer, et al.
Page
of 2