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Nature Communications
|
March 24, 2021
Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence
Zhong-Kang Han, Debalaya Sarker, Runhai Ouyang, et al.
Physical Review Letters
|
August 12, 2022
Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites
Lucas Foppa, Thomas A R Purcell, Sergey V Levchenko, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 21, 2016
CO Adsorption on GaPd-Unravelling the Chemical Bonding in Real Space
Sebastián Alarcón Villaseca, Alim Ormeci, Sergey V Levchenko, et al.
Chemical Communications (Cambridge, England)
|
March 10, 2025
Unveiling the physical mechanisms underpinning bandgap variations in chalcopyrite crystals (ABX<sub>2</sub>) using interpretable artificial intelligence
Xiaolan Fu, Jiaqian Wang, Xiaojuan Hu, et al.
The Journal of Physical Chemistry Letters
|
October 4, 2023
Electronic Properties of Zn<sub>2</sub>V<sub>(1-</sub>Nb<sub></sub>N<sub>3</sub> Alloys to Model Novel Materials for Light-Emitting Diodes
Ana-Maria Stratulat, Christian Tantardini, Maryam Azizi, et al.
Angewandte Chemie (International Ed. in English)
|
May 3, 2022
Adatom Bonding Sites in a Nickel-Fe<sub>3</sub> O<sub>4</sub> (001) Single-Atom Model Catalyst and O<sub>2</sub> Reactivity Unveiled by Surface Action Spectroscopy with Infrared Free-Electron Laser Light
Yun Liu, Zhongkang Han, Sandy Gewinner, et al.
Nature Communications
|
May 12, 2021
Coherent vibrational dynamics reveals lattice anharmonicity in organic-inorganic halide perovskite nanocrystals
Tushar Debnath, Debalaya Sarker, He Huang, et al.
The Journal of Chemical Physics
|
September 13, 2006
Photodissociation dynamics of the NO dimer. I. Theoretical overview of the ultraviolet singlet excited states
Sergey V Levchenko, Hanna Reisler, Anna I Krylov, et al.
Physical Review Letters
|
January 2, 2026
Structural Evolution of Rutile TiO_{2}(110)-(1×2) Reconstruction Driven by Oxygen-Promoted Titanium Migration
Liuxi Chen, Meiliang Ma, Bingwei Chen, et al.
The Journal of Chemical Physics
|
May 9, 2023
Statistical analysis of the performance of a variety of first-principles schemes for accurate prediction of binary semiconductor band gaps
Saeid Abedi, Mahdi Tarighi Ahmadpour, Samira Baninajarian, et al.
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Search research articles
Search
Showing results (11-20 of 27) with videos related to
Sort By:
Page
of 3
Nature Communications
|
March 24, 2021
Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence
Zhong-Kang Han, Debalaya Sarker, Runhai Ouyang, et al.
Physical Review Letters
|
August 12, 2022
Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites
Lucas Foppa, Thomas A R Purcell, Sergey V Levchenko, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 21, 2016
CO Adsorption on GaPd-Unravelling the Chemical Bonding in Real Space
Sebastián Alarcón Villaseca, Alim Ormeci, Sergey V Levchenko, et al.
Chemical Communications (Cambridge, England)
|
March 10, 2025
Unveiling the physical mechanisms underpinning bandgap variations in chalcopyrite crystals (ABX<sub>2</sub>) using interpretable artificial intelligence
Xiaolan Fu, Jiaqian Wang, Xiaojuan Hu, et al.
The Journal of Physical Chemistry Letters
|
October 4, 2023
Electronic Properties of Zn<sub>2</sub>V<sub>(1-</sub>Nb<sub></sub>N<sub>3</sub> Alloys to Model Novel Materials for Light-Emitting Diodes
Ana-Maria Stratulat, Christian Tantardini, Maryam Azizi, et al.
Angewandte Chemie (International Ed. in English)
|
May 3, 2022
Adatom Bonding Sites in a Nickel-Fe<sub>3</sub> O<sub>4</sub> (001) Single-Atom Model Catalyst and O<sub>2</sub> Reactivity Unveiled by Surface Action Spectroscopy with Infrared Free-Electron Laser Light
Yun Liu, Zhongkang Han, Sandy Gewinner, et al.
Nature Communications
|
May 12, 2021
Coherent vibrational dynamics reveals lattice anharmonicity in organic-inorganic halide perovskite nanocrystals
Tushar Debnath, Debalaya Sarker, He Huang, et al.
The Journal of Chemical Physics
|
September 13, 2006
Photodissociation dynamics of the NO dimer. I. Theoretical overview of the ultraviolet singlet excited states
Sergey V Levchenko, Hanna Reisler, Anna I Krylov, et al.
Physical Review Letters
|
January 2, 2026
Structural Evolution of Rutile TiO_{2}(110)-(1×2) Reconstruction Driven by Oxygen-Promoted Titanium Migration
Liuxi Chen, Meiliang Ma, Bingwei Chen, et al.
The Journal of Chemical Physics
|
May 9, 2023
Statistical analysis of the performance of a variety of first-principles schemes for accurate prediction of binary semiconductor band gaps
Saeid Abedi, Mahdi Tarighi Ahmadpour, Samira Baninajarian, et al.
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of 3