Analysis of buckling behavior and associated functionalities of carbon nanotubes
Multi-scale analysis of deformation and fracture in polymer materials
Reaction molecular dynamics of energy device materials
Development of multi-physics simulation methods using deep-learming
Coarse-grained molecular dynamics simulation of boundary lubrication
Reactive molecular dynamics simulation of chemical mechanical polishing
With the aim to reveal deformation and fracture mechanisms and peculiar physical properties originating in nanostructures in various materials including metals, semiconductors, ceramics and polymers, we perform multi-scale simulations ranging from nano-scale models (e.g. ab initio and molecular dynamics) to meso- and macro-scale models (e.g. coarse-graining, phase-field and finite element methods). We also develop new modeling methods utilizing machine-learning and deep-learning methods.