SUMITOMO HEAVY INDUSTRIES TECHNICAL REVIEW
Renormalization Group Theory for Molecular Dynamics
Daiji ICHISHIMA, Yoshitaka OHNISHI and Ryota HIROSE

Renormalization Group Theory for Molecular Dynamics

We developed a renormalized molecular dynamics (RMD) method that enables computer experiment of multi-physics and multi-scale phenomena. The molecular dynamics (MD) method, which uses the ability of a computer to calculate atomic-scale phenomena, is suitable for multi-physics issues. For macro-scale phenomena, we adopted the renormalization group theory for MD to substantially reduce the calculation loads. The fixed point Hamiltonians for RMD are derived directly from the partition function of MD through a coarse graining procedure and then re-scaling. The RMD method enables extensive simulations from atomic-scale calculation to macro-scale one, which was impossible with the conventiona MD method.