Automatic code generation for quantum chemistry applications-Reference-Cited by-同舟云学术

Automatic code generation for quantum chemistry applications

Published:2016-06-27 Issue:18 Volume:116 Page:1370-1381
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Mazur Grzegorz¹²,Makowski Marcin¹²,Łazarski Roman³,Włodarczyk Radosław⁴,Czajkowska Ewa¹,Glanowski Michał¹

Affiliation:

1. Faculty of Chemistry; Jagiellonian University; ul. Ingardena 3 Kraków 30-060 Poland

2. Academic Computer Centre CYFRONET AGH; ul. Nawojki 11 30-950 Kraków Poland

3. Computational Materials Science Group, Otto Schott Institute of Materials Research Faculty of Physics and Astronomy Friedrich-Schiller-Universität Jena Löbdergraben 32; D-07743 Jena Germany

4. Institut für Chemie, Mathematisch-Naturwissenschaftliche Fakultät Humboldt-Universität zu; Berlin Unter den Linden 6 D-10099 Berlin Germany

Funder

PLGrid NG project

European Regional Development Fund as part of the Innovative Economy program

European Regional Development Fund in the framework of the Polish Innovation Economy Operational Program

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference31 articles.

1. A self-contained and portable density functional theory library for use inAb Initio quantum chemistry programs

2. PSI3: An open-source Ab Initio electronic structure package

3. SD-CAS: Spin Dynamics by Computer Algebra System

4. Tensor Contraction Engine: Abstraction and Automated Parallel Implementation of Configuration-Interaction, Coupled-Cluster, and Many-Body Perturbation Theories

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