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Utilizing high performance computing for chemistry : parallel computational chemistry

de Jong, Wibe A (author)
Bylaska, Eric (author)
Govind, Niranjan (author)
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Janssen, Curtis L (author)
Kowalski, Karol (author)
Müller, Thomas (author)
Nielsen, Ida M B (author)
van Dam, Hubertus J J (author)
Veryazov, Valera (author)
Lund University,Lunds universitet,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
Lindh, Roland (author)
Uppsala universitet,Kvantkemi,Quantum chemistry
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 (creator_code:org_t)
Royal Society of Chemistry (RSC), 2010
2010
English.
In: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 12:26, s. 6896-6920
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • Parallel hardware has become readily available to the computational chemistry research community. This perspective will review the current state of parallel computational chemistry software utilizing high-performance parallel computing platforms. Hardware and software trends and their effect on quantum chemistry methodologies, algorithms, and software development will also be discussed.

Subject headings

NATURVETENSKAP  -- Kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)
NATURVETENSKAP  -- Fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences (hsv//eng)
NATURVETENSKAP  -- Kemi -- Teoretisk kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)

Keyword

Chemistry
Kemi
Physics
Fysik

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