Search research articles
Contact Us
Filters
Showing results (31-40 of 64) with videos related to
Page
of 7
Sort By:
Journal of Chemical Theory and Computation
|
August 10, 2018
Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis
Dorothea Golze, Jan Wilhelm, Michiel J van Setten, et al.
Journal of Chemical Information and Modeling
|
January 16, 2023
Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization
Lincan Fang, Xiaomi Guo, Milica Todorović, et al.
Journal of Chemical Theory and Computation
|
February 12, 2021
Efficient Amino Acid Conformer Search with Bayesian Optimization
Lincan Fang, Esko Makkonen, Milica Todorović, et al.
Physical Review Letters
|
April 28, 2009
Localized and itinerant states in lanthanide oxides united by GW @ LDA+U
Hong Jiang, Ricardo I Gomez-Abal, Patrick Rinke, et al.
Journal of Chemical Theory and Computation
|
February 9, 2022
All-Electron BSE@<i>GW</i> Method for <i>K</i>-Edge Core Electron Excitation Energies
Yi Yao, Dorothea Golze, Patrick Rinke, et al.
Frontiers in Chemistry
|
March 10, 2022
Editorial: Many-Body Green's Functions and the Bethe-Salpeter Equation in Chemistry: From Single Molecules to Complex Systems
Marc Dvorak, Björn Baumeier, Dorothea Golze, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
November 29, 2023
Correction to "Screening Mixed-Metal Sn<sub>2</sub>M(III)Ch<sub>2</sub>X<sub>3</sub> Chalcohalides for Photovoltaic Applications"
Pascal Henkel, Jingrui Li, G Krishnamurthy Grandhi, et al.
Physical Review Letters
|
March 5, 2009
Defect formation energies without the band-gap problem: combining density-functional theory and the GW approach for the silicon self-interstitial
Patrick Rinke, Anderson Janotti, Matthias Scheffler, et al.
ACS Applied Materials & Interfaces
|
March 4, 2022
Protective Coating Interfaces for Perovskite Solar Cell Materials: A First-Principles Study
Azimatu Fangnon, Marc Dvorak, Ville Havu, et al.
Physical Review Letters
|
February 9, 2005
Comment on "band-gap problem in semiconductors revisited: effects of core States and many-body self-consistency"
Kris Delaney, P García-González, Angel Rubio, et al.
Page
of 7
Search research articles
Search
Showing results (31-40 of 64) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
August 10, 2018
Core-Level Binding Energies from GW: An Efficient Full-Frequency Approach within a Localized Basis
Dorothea Golze, Jan Wilhelm, Michiel J van Setten, et al.
Journal of Chemical Information and Modeling
|
January 16, 2023
Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization
Lincan Fang, Xiaomi Guo, Milica Todorović, et al.
Journal of Chemical Theory and Computation
|
February 12, 2021
Efficient Amino Acid Conformer Search with Bayesian Optimization
Lincan Fang, Esko Makkonen, Milica Todorović, et al.
Physical Review Letters
|
April 28, 2009
Localized and itinerant states in lanthanide oxides united by GW @ LDA+U
Hong Jiang, Ricardo I Gomez-Abal, Patrick Rinke, et al.
Journal of Chemical Theory and Computation
|
February 9, 2022
All-Electron BSE@<i>GW</i> Method for <i>K</i>-Edge Core Electron Excitation Energies
Yi Yao, Dorothea Golze, Patrick Rinke, et al.
Frontiers in Chemistry
|
March 10, 2022
Editorial: Many-Body Green's Functions and the Bethe-Salpeter Equation in Chemistry: From Single Molecules to Complex Systems
Marc Dvorak, Björn Baumeier, Dorothea Golze, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
November 29, 2023
Correction to "Screening Mixed-Metal Sn<sub>2</sub>M(III)Ch<sub>2</sub>X<sub>3</sub> Chalcohalides for Photovoltaic Applications"
Pascal Henkel, Jingrui Li, G Krishnamurthy Grandhi, et al.
Physical Review Letters
|
March 5, 2009
Defect formation energies without the band-gap problem: combining density-functional theory and the GW approach for the silicon self-interstitial
Patrick Rinke, Anderson Janotti, Matthias Scheffler, et al.
ACS Applied Materials & Interfaces
|
March 4, 2022
Protective Coating Interfaces for Perovskite Solar Cell Materials: A First-Principles Study
Azimatu Fangnon, Marc Dvorak, Ville Havu, et al.
Physical Review Letters
|
February 9, 2005
Comment on "band-gap problem in semiconductors revisited: effects of core States and many-body self-consistency"
Kris Delaney, P García-González, Angel Rubio, et al.
Page
of 7