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Title: Quantum Simulations of Materials and Nanostructures (Q-SIMAN). Final Report

The focus of this SciDAC SAP (Scientific Application) is the development and use of quantum simulations techniques to understand materials and nanostructures at the microscopic level, predict their physical and chemical properties, and eventually design integrated materials with targeted properties. (Here the word ‘materials’ is used in a broad sense and it encompasses different thermodynamic states of matter, including solid, liquids and nanostructures.) Therefore our overarching goal is to enable scientific discoveries in the field of condensed matter and advanced materials through high performance computing.
 [1] ;  [1] ;  [2] ;  [3] ;  [1] ;  [4] ;  [1] ;  [5] ;  [6] ;  [6]
  1. Univ. of California, Davis, CA (United States)
  2. Univ. of Illinois, Urbana, IL (United States)
  3. Stanford Univ., CA (United States)
  4. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
  5. Univ. of California, Santa Barbara, CA (United States)
  6. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
OSTI Identifier:
Report Number(s):
DOE Contract Number:
Resource Type:
Technical Report
Research Org:
Univ. of California, Davis, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21)
Country of Publication:
United States