Quantum Chemistry of Complex Systems

Nagoya University

Faculty Member, Graduate School of Science

Full Professor (教授)

Graduate School of Science

About

Stephan Irle has performed research in quantum chemistry and computational nanomaterials simulations in Germany, Austria, the United States, and Japan. He has become a specialist in the rapidly growing area of quantum chemical molecular dynamics (QM/MD) simulations of complex chemical reaction systems. The study of emergent self-assembly and erosion processes comprises a major part of his research. They are accompanied by complementary studies of chemical reactions and molecular properties, and the development of methodologies for QM/MD simulations. His group is now expanding the application of these methods to the field of excited state chemistry of large molecules, ionic liquids simulations, and transition metal cluster compounds.

Contact Information

Homepage:

http://qc.chem.nagoya-u.ac.jp

Address:

Department of Chemistry
Graduate School of Science
Furo-cho, Chikusa-ku
Nagoya 464-8601
Japan

Telephone:

+81-52-747-6397

IM:

skype, aim: stirle2

 

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