HOME > Research Areas by Category > High Performance Computing... > Realizing Super-accurate...

Realizing Super-accurate Predictions and Giant-molecular Designs: Breakthrough of Frontiers of Quantum Chemistry with Innovative Methodologies in Computational Science

Research Project Outline

Quantum principles like SchrÖdinger equation govern chemistry, biology and physics of matter, but have been believed to be insoluble for most actual systems for over 80 years since their birth. Recently, a general method of solving these basic equations has been discovered by us. In this project, this theory will further be advanced to realize truly predictive science and quantum chemistry with innovative methodologies in computational science. Our SAC/SAC-CI method will further be expanded to be seamlessly applicable even to giant molecular systems in the designs of photo electronic processes.

Research Director
HiroshiNakatsuji
Affiliation
Director, Quantum Chemistry Research Institute
Research Started
2007
Status
ongoing
Research Area
High Performance Computing for Multi-Scale and Multi-Physics Phenomena
Research Areas by Category
Research Areas Completed
Researcher Index
Search