Theoretical Studies of the Vibrational Spectra and Relaxation Dynamics of Ice and Water

Potential Energy Surfaces and the Applications to Reaction Dynamics and Molecular Vibrations

Elasticity and Structure of Self-Assembled Systems with Defects and Inclusions

Single- and Double-Component Atomistic Models of Phosphatidylcholine Lipid Bilayers in the Gel and Liquid Crystalline Phases

Computational Studies on the Anharmonic Dynamics of Molecular Clusters

Deuteration Affects the Photodissociation of Formaldehyde

Theoretical Studies of Unusual Molecular Vibrational Dynamics

Ab initio Molecular Potential Energy Surface Constructionand Molecular Dynamics Simulation for Small Molecules

Molecular simulations of lipid systems: Edge stability and structure in pure and mixed bilayers