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Title: Challenges in large scale quantum mechanical calculations: Challenges in large scale quantum mechanical calculations

Authors:
 [1] ;  [2] ;  [2] ;  [3] ;  [4] ;  [3]
  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, CEA, INAC-MEM, Grenoble France
  4. 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
Publication Date:
Type:
Publisher's Accepted Manuscript
Journal Name:
Wiley Interdisciplinary Reviews: Computational Molecular Science
Additional Journal Information:
Journal Volume: 7; Journal Issue: 1; Related Information: CHORUS Timestamp: 2017-10-20 17:02:12; Journal ID: ISSN 1759-0876
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1401501