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Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
November 16, 2019
Data-Driven Materials Science: Status, Challenges, and Perspectives
Lauri Himanen, Amber Geurts, Adam Stuart Foster, et al.
The Journal of Chemical Physics
|
January 11, 2024
Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework
Francisco A Delesma, Moritz Leucke, Dorothea Golze, et al.
ACS Nano
|
April 24, 2015
Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE
Oliver T Hofmann, Patrick Rinke, Matthias Scheffler, et al.
International Journal of Molecular Sciences
|
August 12, 2018
Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory
Esko Makkonen, Patrick Rinke, Olga Lopez-Acevedo, et al.
The Journal of Physical Chemistry Letters
|
March 3, 2021
Surface Functionalization of 2D MXenes: Trends in Distribution, Composition, and Electronic Properties
Rina Ibragimova, Paul Erhart, Patrick Rinke, et al.
Physical Review Letters
|
October 8, 2016
Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation
Igor Ying Zhang, Patrick Rinke, John P Perdew, et al.
Physical Review Letters
|
October 23, 2012
Density-functional theory for f-electron systems: the α-γ phase transition in cerium
Marco Casadei, Xinguo Ren, Patrick Rinke, et al.
Scientific Data
|
July 12, 2023
Atomic structures, conformers and thermodynamic properties of 32k atmospheric molecules
Vitus Besel, Milica Todorović, Theo Kurtén, et al.
Journal of Chemical Theory and Computation
|
November 2, 2022
Benchmark of <i>GW</i> Methods for Core-Level Binding Energies
Jiachen Li, Ye Jin, Patrick Rinke, et al.
Journal of Chemical Theory and Computation
|
September 16, 2016
Benchmark of GW Approaches for the GW100 Test Set
Fabio Caruso, Matthias Dauth, Michiel J van Setten, et al.
Page
of 7
Search research articles
Search
Showing results (21-30 of 64) with videos related to
Sort By:
Page
of 7
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
November 16, 2019
Data-Driven Materials Science: Status, Challenges, and Perspectives
Lauri Himanen, Amber Geurts, Adam Stuart Foster, et al.
The Journal of Chemical Physics
|
January 11, 2024
Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework
Francisco A Delesma, Moritz Leucke, Dorothea Golze, et al.
ACS Nano
|
April 24, 2015
Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE
Oliver T Hofmann, Patrick Rinke, Matthias Scheffler, et al.
International Journal of Molecular Sciences
|
August 12, 2018
Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory
Esko Makkonen, Patrick Rinke, Olga Lopez-Acevedo, et al.
The Journal of Physical Chemistry Letters
|
March 3, 2021
Surface Functionalization of 2D MXenes: Trends in Distribution, Composition, and Electronic Properties
Rina Ibragimova, Paul Erhart, Patrick Rinke, et al.
Physical Review Letters
|
October 8, 2016
Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation
Igor Ying Zhang, Patrick Rinke, John P Perdew, et al.
Physical Review Letters
|
October 23, 2012
Density-functional theory for f-electron systems: the α-γ phase transition in cerium
Marco Casadei, Xinguo Ren, Patrick Rinke, et al.
Scientific Data
|
July 12, 2023
Atomic structures, conformers and thermodynamic properties of 32k atmospheric molecules
Vitus Besel, Milica Todorović, Theo Kurtén, et al.
Journal of Chemical Theory and Computation
|
November 2, 2022
Benchmark of <i>GW</i> Methods for Core-Level Binding Energies
Jiachen Li, Ye Jin, Patrick Rinke, et al.
Journal of Chemical Theory and Computation
|
September 16, 2016
Benchmark of GW Approaches for the GW100 Test Set
Fabio Caruso, Matthias Dauth, Michiel J van Setten, et al.
Page
of 7