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Journal of Chemical Theory and Computation
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January 6, 2016
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals
Lukas Gallandi, Noa Marom, Patrick Rinke, et al.
The Journal of Chemical Physics
|
September 23, 2020
Relativistic correction scheme for core-level binding energies from GW
Levi Keller, Volker Blum, Patrick Rinke, et al.
The Journal of Chemical Physics
|
February 20, 2021
Atomic and electronic structure of cesium lead triiodide surfaces
Azimatu Seidu, Marc Dvorak, Patrick Rinke, et al.
Physical Review Letters
|
May 17, 2011
Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations
Xinguo Ren, Alexandre Tkatchenko, Patrick Rinke, et al.
Physical Review Letters
|
March 10, 2012
New perspective on formation energies and energy levels of point defects in nonmetals
R Ramprasad, H Zhu, Patrick Rinke, et al.
The Journal of Chemical Physics
|
March 1, 2024
Machine-learning accelerated structure search for ligand-protected clusters
Lincan Fang, Jarno Laakso, Patrick Rinke, et al.
The Journal of Chemical Physics
|
January 2, 2025
Active learning of molecular data for task-specific objectives
Kunal Ghosh, Milica Todorović, Aki Vehtari, et al.
Journal of Chemical Theory and Computation
|
March 11, 2021
Improved One-Shot Total Energies from the Linearized GW Density Matrix
Fabien Bruneval, Mauricio Rodriguez-Mayorga, Patrick Rinke, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
January 30, 2020
Erratum: Data-Driven Materials Science: Status, Challenges, and Perspectives
Lauri Himanen, Amber Geurts, Adam Stuart Foster, et al.
ACS Nano
|
July 31, 2015
Correction to Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE
Oliver T Hofmann, Patrick Rinke, Matthias Scheffler, et al.
Page
of 7
Search research articles
Search
Showing results (11-20 of 64) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
January 6, 2016
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals
Lukas Gallandi, Noa Marom, Patrick Rinke, et al.
The Journal of Chemical Physics
|
September 23, 2020
Relativistic correction scheme for core-level binding energies from GW
Levi Keller, Volker Blum, Patrick Rinke, et al.
The Journal of Chemical Physics
|
February 20, 2021
Atomic and electronic structure of cesium lead triiodide surfaces
Azimatu Seidu, Marc Dvorak, Patrick Rinke, et al.
Physical Review Letters
|
May 17, 2011
Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations
Xinguo Ren, Alexandre Tkatchenko, Patrick Rinke, et al.
Physical Review Letters
|
March 10, 2012
New perspective on formation energies and energy levels of point defects in nonmetals
R Ramprasad, H Zhu, Patrick Rinke, et al.
The Journal of Chemical Physics
|
March 1, 2024
Machine-learning accelerated structure search for ligand-protected clusters
Lincan Fang, Jarno Laakso, Patrick Rinke, et al.
The Journal of Chemical Physics
|
January 2, 2025
Active learning of molecular data for task-specific objectives
Kunal Ghosh, Milica Todorović, Aki Vehtari, et al.
Journal of Chemical Theory and Computation
|
March 11, 2021
Improved One-Shot Total Energies from the Linearized GW Density Matrix
Fabien Bruneval, Mauricio Rodriguez-Mayorga, Patrick Rinke, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
January 30, 2020
Erratum: Data-Driven Materials Science: Status, Challenges, and Perspectives
Lauri Himanen, Amber Geurts, Adam Stuart Foster, et al.
ACS Nano
|
July 31, 2015
Correction to Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE
Oliver T Hofmann, Patrick Rinke, Matthias Scheffler, et al.
Page
of 7