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The Journal of Physical Chemistry Letters
|
October 21, 2022
Obtaining Electronic Properties of Molecules through Combining Density Functional Tight Binding with Machine Learning
Guozheng Fan, Adam McSloy, Bálint Aradi, et al.
Journal of Chemical Theory and Computation
|
June 23, 2023
Machine Learning Enhanced DFTB Method for Periodic Systems: Learning from Electronic Density of States
Wenbo Sun, Guozheng Fan, Tammo van der Heide, 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.
Page
of 1
Search research articles
Search
Showing results (1-10 of 3) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry Letters
|
October 21, 2022
Obtaining Electronic Properties of Molecules through Combining Density Functional Tight Binding with Machine Learning
Guozheng Fan, Adam McSloy, Bálint Aradi, et al.
Journal of Chemical Theory and Computation
|
June 23, 2023
Machine Learning Enhanced DFTB Method for Periodic Systems: Learning from Electronic Density of States
Wenbo Sun, Guozheng Fan, Tammo van der Heide, 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.
Page
of 1