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The Journal of Chemical Physics
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February 13, 2026
Practical integration of machine learning into ab initio calculations and workflows: Accelerating the SCF cycle via density matrix predictions
Pavel Stishenko, Chen Qian, Julia Westermayr, et al.
The Journal of Chemical Physics
|
July 3, 2024
Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations
Pavel Stishenko, Adam McSloy, Berk Onat, et al.
ACS Catalysis
|
July 25, 2024
Tuning the Size of TiO<sub>2</sub>-Supported Co Nanoparticle Fischer-Tropsch Catalysts Using Mn Additions
Matthew Lindley, Pavel Stishenko, James W M Crawley, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
February 13, 2026
Practical integration of machine learning into ab initio calculations and workflows: Accelerating the SCF cycle via density matrix predictions
Pavel Stishenko, Chen Qian, Julia Westermayr, et al.
The Journal of Chemical Physics
|
July 3, 2024
Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations
Pavel Stishenko, Adam McSloy, Berk Onat, et al.
ACS Catalysis
|
July 25, 2024
Tuning the Size of TiO<sub>2</sub>-Supported Co Nanoparticle Fischer-Tropsch Catalysts Using Mn Additions
Matthew Lindley, Pavel Stishenko, James W M Crawley, et al.
Page
of 1