Interdisciplinary Research in Quantum Chemistry, Computational Science, and Computer Science
Efficient Computation for Quantum Chemistry and Various Scientific Applications Using Large-Scale Parallel Computing with Multi-Core Processors and Accelerators
Development of Prototyping Environments for Quantum Chemistry Applications
Proposing and Estimating Performance for Suitable Architectures for Non-von Neumann Computer Systems Implemented with Josephson Junction Circuits
Development of Peta-Scale Supercomputer System Simulators
Quantum Chemistry
Studies on Excited Electronic Structures of Multi-Metal Complexes and Organometallic Complexes
Development of Molecular Integral Program Libraries for Atomic Structures, Non-Abelian Molecular Point Groups, and General Molecular Symmetries
Refining and Developing Program Libraries for N-Electron Hamiltonian Matrix Energy Expressions Using Sasaki's Angular Momentum Tensor-Recoupling Scheme for Atomic Structures, Non-Abelian Molecular Point Groups, and General Molecular Symmetries