Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques
نویسندگان
چکیده
منابع مشابه
Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques
Molecular dynamics modeling has provided a powerful tool for simulating and understanding diverse systems – ranging from materials processes to biophysical phenomena. Parallel formulations of these methods have been shown to be among the most scalable scientific computing applications. Many instances of this class of methods rely on a static bond structure for molecules, rendering them infeasib...
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ژورنال
عنوان ژورنال: Parallel Computing
سال: 2012
ISSN: 0167-8191
DOI: 10.1016/j.parco.2011.08.005