Review of last class Design materials using computation ·Multiscale coupling Materials Genome and materials informatics Mathematical models in material science Modeling Modeling Modeling Model preparation assumption construction solving F T Model Model Model application testing analysis
Review of last class • Design materials using computation • Multiscale coupling • Materials Genome and materials informatics • Mathematical models in material science 建模准备 建模假设 构造模型 模型求解 模型应用 模型检验 模型分析 F T T F Modeling preparation Modeling assumption Modeling construction Model solving Model analysis Model testing Model application
Moite Conko An introduc onte Carlo method LasVegasTourism.com
An introduction of Monte Carlo method
Outline ·Introduction Basics of Monte Carlo method 0 Statistical Uncertainty Improving Efficiency Techniques An Application in Surface Diffusion
Outline • Introduction • Basics of Monte Carlo method • Statistical Uncertainty • Improving Efficiency Techniques • An Application in Surface Diffusion
INTRODUCTION
INTRODUCTION
Hierarchy of time and space scale of computational simulation Continuum TIME (s) Based on SDSC Blue Horizon(SP3) Methods 512-1024 processors 1.728 Tflops peak performance 100 CPU time =1 week/processor Atomistic Mesoscale methods (ms)103 Simulation Methods Finite elements methods (us)10-6 Semi-empirical (ns)109 methods Monte Carlo Molecular dynamics (ps)1012 Ab initio tight-binding (fs)10-15 10-10 109 108 107 10-6 105 10-4 (nm) (um) LENGTH(m)
Hierarchy of time and space scale of computational simulation 6