MIT Licence KPP Fortran to CUDA source-to-source pre-processor: Each CPU process that offloads to GPU requires a chunk of the GPU VRAM memory, dependent on the number of species and reaction constant
The kinetics behavior of binary polymerization is studied by using reactive molecular dynamics simulation, and the polymerization reaction is represented by model systems consisting of two types of re
Abstract Title of program: UNIMOL Catalogue number: AAoA Program obtainable form: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: IBM 30
The Rice–Ramsperger–Kassel–Marcus (RRKM) theory provides a simple yet powerful rate theory for calculating microcanonical rate constants. In particular, it has found widespread use in combination with
