Dmitrij Rappoport

Dmitrij Rappoport is a researcher affiliated with the University of California, Irvine. His work spans theoretical chemistry, reaction networks, and molecular properties, with a focus on quantum chemistry and computational methods.

• University of Karlsruhe, 2007 (Dr. rer. nat., Theoretical Chemistry)
• University of Karlsruhe, 2003 (Diplom, Chemistry)

His research explores complexity in chemical systems, including reaction network modeling, nonlinear dimensionality reduction for reactive coordinates, and quantum chemical approaches to thermodynamics. He has developed open-source tools like Libkrylov and contributed to the TURBOMOLE software suite.

Recent publications include studies on non-Kasha fluorescence, enzyme discovery via machine learning, and reaction mechanisms in dinitrogen reduction. His work bridges computational chemistry, materials design, and biochemical applications.

Scientific Awards:

• Postdoctoral Research Award of the Physical Chemistry Division of the ACS (2010)
• Proctor & Gamble Graduation Award (2003)
• German National Academic Foundation Fellowship (1998-2001)

He has contributed to software development and computational methodologies, with a particular emphasis on accurate modeling of excited states, charge transport, and reaction dynamics. Collaborative projects include bioluminescence mechanism analysis and machine learning applications in protein function prediction.