Thermal neutron scattering law calculations using ab initio molecular dynamics
نویسندگان
چکیده
منابع مشابه
Ab-Initio Molecular Dynamics
Computer simulation methods, such as Monte Carlo or Molecular Dynamics, are very powerful computational techniques that provide detailed and essentially exact information on classical many-body problems. With the advent of ab-initio molecular dynamics, where the forces are computed on-the-fly by accurate electronic structure calculations, the scope of either method has been greatly extended. Th...
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ژورنال
عنوان ژورنال: EPJ Web of Conferences
سال: 2017
ISSN: 2100-014X
DOI: 10.1051/epjconf/201714613002