Work

Accelerating Relativistic Exact-Two-Component Density Functional Theory Calculations with Graphical Processing Units

Year: 2024

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.4c00843

Authors: Mikael Kovtun, Eleftherios Lambros, Aodong Liu, Diandong Tang, David B. Williams-Young, Xiaosong Li

Institutions: University of Washington, Lawrence Berkeley National Laboratory

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

Funders: Office of Advanced Cyberinfrastructure, Basic Energy Sciences

Awards: G2412395286, G318949796

OpenAlex ID: W4402180283

FWCI: 0.957

Cites: 93

Cited by: 6

Related to: 10