Force fields and molecular dynamics simulations
نویسندگان
چکیده
منابع مشابه
Force fields and molecular dynamics simulations
The objective of this review is to serve as an introductory guide for the non-expert to the exciting field of Molecular Dynamics (MD). MD simulations generate a phase space trajectory by integrating the classical equations of motion for a system of N particles. Here I review the basic concepts needed to understand the technique, what are the key elements to perform a simulation and which is the...
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ژورنال
عنوان ژورنال: École thématique de la Société Française de la Neutronique
سال: 2011
ISSN: 2107-7223,2107-7231
DOI: 10.1051/sfn/201112009