Home > Members > Stephan Irle

Stephan Irle

Researcher ID

1991B.S.; University of Siegen, Germany (Chemistry)
1993M.S.; University of Siegen, Germany (Theoretical Chemistry)
1997Ph.D.; University of Vienna, Austria (Theoretical Chemistry)
1997-1998Research Associate; Emory University, USA
1998-2006Associate Scientist; Emory University, USA
2005JSPS Short-Term Visiting Fellowship; Nagoya University
2006Fukui Postdoctoral Fellowship; Kyoto University
2006-2011Designated Associate Professor; Graduate School of Science, Nagoya University
2011-presentProfessor; Department of Chemistry, Nagoya University
2013-presentProfessor; WPI-ITbM, Nagoya University

Stephan Irle (49) Nagoya University

Quantum chemistry, molecular dynamics, approximate density functional theory

The central theme of Irle's work is the quantum chemical study of complex systems. On the basis of approximate density functional theory (DFT) techniques, his group can conduct the routine, fully quantum chemical simulation of large molecular systems containing 1000's of atoms on timescales into the 10's of nanoseconds, and thus provide a theoretical means to understand and design efficient chemical synthesis in complex molecular environments and to characterize and create novel molecules for bio-related applications. In this Institute, he will mainly apply his density-functional tight-binding (DFTB) method for the understanding of ligand-protein interactions as well as the rational design of fluorescent molecules for bio-imaging, collaborating with virtually all members.

Research Highlights


Selected Publications

« Back to Members Top