Challenges in large scale quantum mechanical calculations-Reference-Cited by-同舟云学术

Challenges in large scale quantum mechanical calculations

Published:2016-11-07 Issue:1 Volume:7 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Ratcliff Laura E.¹,Mohr Stephan²,Huhs Georg²,Deutsch Thierry³⁴,Masella Michel⁵,Genovese Luigi³⁴

Affiliation:

1. Argonne Leadership Computing Facility Argonne National Laboratory Lemon IL USA

2. Department of Computer Applications in Science and Engineering Barcelona Supercomputing Center (BSC‐CNS) Barcelona Spain

3. University Grenoble Alpes INAC‐MEM Grenoble France

4. CEA, INAC‐MEM Grenoble France

5. Laboratoire de Biologie Structurale et Radiologie, Service de Bioénergétique, Biologie Structurale et Mécanisme Institut de Biologie et de Technologie de Saclay, CEA Saclay Gif‐sur‐Yvette Cedex France

Funder

Argonne National Laboratory

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1290

Reference231 articles.

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5. PerdewJP SchmidtK. Jacob's ladder of density functional approximations for the exchange‐correlation energy. In:AIP Conference Proceedings 577 1 2001.

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