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Utilizing high perf...
Utilizing high performance computing for chemistry : parallel computational chemistry
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de Jong, Wibe A (author)
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Bylaska, Eric (author)
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Govind, Niranjan (author)
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Janssen, Curtis L (author)
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Kowalski, Karol (author)
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Müller, Thomas (author)
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Nielsen, Ida M B (author)
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van Dam, Hubertus J J (author)
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- 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
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- Lindh, Roland (author)
- Uppsala universitet,Kvantkemi,Quantum chemistry
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(creator_code:org_t)
- Royal Society of Chemistry (RSC), 2010
- 2010
- English.
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In: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 12:26, s. 6896-6920
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http://dx.doi.org/10... (free)
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https://urn.kb.se/re...
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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
Publication and Content Type
- ref (subject category)
- art (subject category)
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To the university's database
- By the author/editor
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de Jong, Wibe A
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Bylaska, Eric
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Govind, Niranjan
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Janssen, Curtis ...
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Kowalski, Karol
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Müller, Thomas
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show more...
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Nielsen, Ida M B
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van Dam, Hubertu ...
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Veryazov, Valera
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Lindh, Roland
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Theoretical Chem ...
- Articles in the publication
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Physical Chemist ...
- By the university
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Uppsala University
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Lund University