5 research outputs found
ΠΠΎΡΠ»ΡΠ΄ΠΆΠ΅Π½Π½Ρ ΡΠ΅Ρ Π½ΠΎΠ»ΠΎΠ³ΡΡ Π²ΠΈΡΠΎΠ±Π½ΠΈΡΡΠ²Π° ΡΠ΅ΠΊΠΎΠΌΠ±ΡΠ½Π°Π½ΡΠ½ΠΎΡ Π²Π°ΠΊΡΠΈΠ½ΠΈ ΠΏΡΠΎΡΠΈ Π²ΡΡΡΡΡ ΠΏΠ°ΠΏΡΠ»ΠΎΠΌΠΈ Π»ΡΠ΄ΠΈΠ½ΠΈ
Get PDFThermalization of Large Fluid Systems consisting of Lennard-Jones Mixtures
Get PDFThis document describes a method for the creation of thermally equilibrated molecular configurations for large scale molecular dynamics simulations and its parallel implementation. The method combines relaxation of a stochastic initial configuration by Monte Carlo moves followed by molecular dynamics. Benchmarks are presented for up to 800000 particles
