Open AccessMultiscale Mathematics for Biomass Conversion to Renewable Hydrogen
Author(s) -
Petr Plecháč
Publication year - 2010
Language(s) - English
Resource type - Reports
DOI - 10.2172/1051295
Subject(s) - granularity , computer science , monte carlo method , focus (optics) , kinetic monte carlo , observable , sampling (signal processing) , theme (computing) , work (physics) , statistical physics , theoretical computer science , algorithm , computational science , mathematics , mathematical optimization , statistics , physics , filter (signal processing) , quantum mechanics , optics , computer vision , operating system , thermodynamics
The main focus during the period of research at UTK was on developing a mathematically rigorous and at the same time computationally flexible framework for parallelization of Kinetic Monte Carlo methods, and its implementation on multi-core architectures. Another direction of research aimed towards spatial multilevel coarse graining methods for Monte Carlo sampling and molecular simulation. The underlying theme of both of this topics was the development of numerical methods that lead to efficient and reliable simulations supported by error analysis of involved approximation schemes for coarse observables of the simulated molecular system. The work on both of these topics resulted in publications