Langevin dynamics in constant pressure extended systems
نویسندگان
چکیده
منابع مشابه
00 4 Langevin Dynamics in Constant Pressure Extended Systems
The advantages of performing Langevin Dynamics in extended systems are discussed. A simple Langevin Dynamics scheme for producing the canonical ensemble is reviewed, and is then extended to the Hoover ensemble. We show that the resulting equations of motion generate the isobaricisothermal ensemble. The Parrinello-Rahman ensemble is then discussed and we show that despite the presence of intrins...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2004
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1755657