DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization-Reference-Cited by-同舟云学术

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DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

Published:2022-11 Issue: Volume:280 Page:108473
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Das Sambit,Motamarri Phani,Subramanian Vishal,Rogers David M.,Gavini Vikram^ORCID

Funder

Department of Science and Technology

Office of Science

Science and Engineering Research Board

Basic Energy Sciences

National Science Foundation

Indian Institute of Science

U.S. Department of Energy

Toyota Research Institute

Science and Technology Department of Ningxia

Army Research Office

Air Force Office of Scientific Research

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference101 articles.

1. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

2. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

3. First-principles computation of material properties: the ABINIT software project

4. First principles methods using CASTEP

5. exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory

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