Development and validation of reaxFF forcefields for Moniosh interactions under high pressure conditions

David Newsome, Alex Vasenkov, Debasis Sengupta, Adri Van Duin

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Original languageEnglish (US)
Title of host publicationComputational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting
PublisherAIChE
Pages275-276
Number of pages2
ISBN (Print)9781618397409
StatePublished - Jan 1 2011
EventComputational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting - Minneapolis, United States
Duration: Oct 16 2011Oct 21 2011

Publication series

NameComputational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting

Other

OtherComputational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting
CountryUnited States
CityMinneapolis
Period10/16/1110/21/11

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All Science Journal Classification (ASJC) codes

  • Chemical Health and Safety
  • Safety, Risk, Reliability and Quality
  • Safety Research

Cite this

Newsome, D., Vasenkov, A., Sengupta, D., & Van Duin, A. (2011). Development and validation of reaxFF forcefields for Moniosh interactions under high pressure conditions. In Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting (pp. 275-276). (Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting). AIChE.
Newsome, David ; Vasenkov, Alex ; Sengupta, Debasis ; Van Duin, Adri. / Development and validation of reaxFF forcefields for Moniosh interactions under high pressure conditions. Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting. AIChE, 2011. pp. 275-276 (Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting).
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title = "Development and validation of reaxFF forcefields for Moniosh interactions under high pressure conditions",
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isbn = "9781618397409",
series = "Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting",
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Newsome, D, Vasenkov, A, Sengupta, D & Van Duin, A 2011, Development and validation of reaxFF forcefields for Moniosh interactions under high pressure conditions. in Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting. Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting, AIChE, pp. 275-276, Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting, Minneapolis, United States, 10/16/11.

Development and validation of reaxFF forcefields for Moniosh interactions under high pressure conditions. / Newsome, David; Vasenkov, Alex; Sengupta, Debasis; Van Duin, Adri.

Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting. AIChE, 2011. p. 275-276 (Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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Newsome D, Vasenkov A, Sengupta D, Van Duin A. Development and validation of reaxFF forcefields for Moniosh interactions under high pressure conditions. In Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting. AIChE. 2011. p. 275-276. (Computational Molecular Science and Engineering Forum - Core Programming Topic at the 2011 AIChE Annual Meeting).