Takuro Okada – Konoma

Covering network designs, discrete convex analysis, facility location and clustering problems, matching games, and parameterized complexity, this book discusses theoretical aspects of combinatorial optimization and graph algorithms.

Once close friends, an incident led them to different lives and to become enemies.

This thesis experimentally demonstrates the much discussed electronic charge-glass states in solids. It focuses on quasi-two-dimensional organic conductors of the θ-(BEDT-TTF)2X family, which form anisotropic triangular lattices, and examines their electronic properties using various measurements: resistivity, time-resolved electric transport, X-ray diffraction analysis, and nuclear magnetic resonance spectroscopy.

It is the debut record of Satoshi Matoba, a 22-year-old saxophonist who performs mainly in Kyushu.Despite suffering from muscular dystrophy, he has won many competitions and is currently performing in a wheelchair.

This thesis proposes useful tools, on-the-fly trajectory mapping method and Reaction Space Projector (ReSPer), to analyze chemical reaction mechanisms by combining the reaction route map and the ab initio molecular dynamics. The key concept for the proposed tools is the Cartesian distance between pairwise molecular structures, and a practical procedure to get the optimal distance is introduced. The on-the-fly trajectory mapping method tracks the distance function between reference structures and molecular structures along the trajectory. Although this method provides fruitful insight into dynamic reaction behaviors, the visualization of reaction routes into a low-dimensional space is still challenging because of the multi-dimensionality. ReSPer successfully constructs a low-dimensional reaction space defined by mathematically-selected principal coordinates representing mutual distance relationships in the full-dimensional space. ReSPer also enables us to project trajectories into the reaction space in the reduced dimension. In this thesis, these methods are applied to several reactions, including bifurcating and photochemical reactions, revealing dynamically-allowed reaction mechanisms. This thesis provides robust and versatile tools to elucidate dynamical reaction routes on the basis of the reduced-dimensionality reaction route map and will help control chemical reaction dynamics and select descriptors for machine learning.