Work

Obtaining Electronic Properties of Molecules through Combining Density Functional Tight Binding with Machine Learning

Year: 2022

Type: article

Source: The Journal of Physical Chemistry Letters

DOI: 10.1021/acs.jpclett.2c02586

Authors: Guozheng Fan, Adam McSloy, Bálint Aradi, Chi-Yung Yam, Thomas Frauenheim

Institutions: University of Bremen, University of Electronic Science and Technology of China, Beijing Computational Science Research Center

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funder: Deutsche Forschungsgemeinschaft

Award: G2846162454

OpenAlex ID: W4307043335

FWCI: 1.918

Cites: 31

Cited by: 21

Related to: 10