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So Hirata

Institution
University of Illinois at Urbana-Champaign

Projects

(gc2392)Immobilization of Radionuclides in Oxides

Lead Institution
University of Iceland
Principal Investigator
Hannes Jonsson
Project type
Capability Research
We will carry out a series of theoretical calculations related to the immobilization of radionuclides in oxides, both crystalline and amorphous. The principal questions that will be addressed are: …

(emsl3410) Relativistic many-electron theories

Lead Institution
University of Illinois at Urbana-Champaign
Principal Investigator
So Hirata
Project type
Capability Research
We propose to develop a series of highly accurate electron correlation theories (configuration interaction theory upto CISDTQ, coupled-cluster theory upto CCSDTQ, many-body perturbation theory upto…

Computational study of polycyclic aromatic hydrocarbons and their derivatives

Lead Institution
University of Illinois at Urbana-Champaign
Principal Investigator
So Hirata
Project type
Exploratory Research
Polycyclic aromatic hydrocarbons (PAHs) constitute a large class of conjugated pi-electron systems that are key molecular species in many branches of chemistry, such as, interstellar, combustion,…