Stephan Irle
Recent developments for the quantum chemical investigation of molecular systems with high structural complexity
Haeckelite and Graphene Formation on a Metal Surface: Evidence for a Phase Transition at the Edge of Criticality
SWCNT Growth from Chiral and Achiral Carbon Nanorings: Prediction of Chirality and Diameter Influence on Local Growth Rates
![Origin of the Size-Dependent Fluorescence Blueshift in [n]Cycloparaphenylenes](https://cdn.slidesharecdn.com/ss_thumbnails/excited-states-130701175756-phpapp01-thumbnail.jpg?width=640&height=640&fit=bounds)
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Oak Ridge National LaboratoryLocation
Oak Ridge, TN United StatesOccupation
Theoretical ChemistIndustry
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About
Stephan Irle has performed research in computational chemistry and materials sciences in Germany, Austria, the United States, and Japan. He has been a founding principal investigator at the Institute of Transformative Bio-Molecules (WPI-ITbM) at Nagoya University and member of the Japanese “post-K supercomputer” support project. His specialty is the quantum chemical study of complex systems. Target areas are soft matter and biosimulations, excited states of large molecules, and catalysis. Complementary studies of physicochemical properties, theoretical spectroscopy, and the development of methodologies including approximate quantum chemical methods accompany this research.