Inq, a Modern GPU-Accelerated Computational Framework for (Time-Dependent) Density Functional Theory-Reference-Cited by-同舟云学术

Inq, a Modern GPU-Accelerated Computational Framework for (Time-Dependent) Density Functional Theory

Published:2021-11-02 Issue:12 Volume:17 Page:7447-7467
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Andrade Xavier¹^ORCID,Pemmaraju Chaitanya Das²^ORCID,Kartsev Alexey²^ORCID,Xiao Jun²^ORCID,Lindenberg Aaron²^ORCID,Rajpurohit Sangeeta³,Tan Liang Z.³^ORCID,Ogitsu Tadashi¹,Correa Alfredo A.¹

Affiliation:

1. Quantum Simulations Group, Lawrence Livermore National Laboratory, Livermore, California 94551, United States

2. Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States

3. The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

Funder

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00562

Reference194 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

4. Density-Functional Theory for Time-Dependent Systems

5. Toward Computational Materials Design: The Impact of Density Functional Theory on Materials Research

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