High Performance Computer Cluster for Theoretical Studies of Roaming in Chemical Reactions

Abstract

A dedicated high-performance computer cluster was purchased in order to carry out extensive and state-of-the art computations of chemical reaction dynamics. The specific aim of this computational research is the detailed elucidation of the recently reported roaming pathway in gas-phase chemical reactions. Several complex reaction systems, currently being studied experimentally will be the focus of this research.

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Document Details

Document Type
Technical Report
Publication Date
Aug 30, 2016
Accession Number
AD1038034

Entities

People

  • Joel M. Bowman

Organizations

  • Emory University

Tags

Communities of Interest

  • Human Systems

DTIC Thesaurus Topics

  • Abstracts
  • Agreements
  • Chemical Reactions
  • Computations
  • Computers
  • Contractors
  • Department Of Defense
  • Education
  • Engineering
  • Information Operations
  • Mathematics
  • Military Research
  • Standards
  • Students
  • Technology Transfer

Fields of Study

  • Chemistry

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