Uwe Manthe

Born June 14, 1964 in Mainz, Germany

Professor of Theoretical Chemistry, Univ. Bielefeld, Germany

Email:uwe.manthe@uni-bielefeld.de

Gerhard Hess-Award of the Deutsche Forschungsgemeinschaft (1999); Heisenberg scholarship (1999-2003); Hellmann Award of the Arbeitsgemeinschaft Theoretische Chemie (2001); Dean, Faculty of Chemistry, Univ. Bielefeld (2006-2008)

Author of:

Important Contributions:

• Developed the multi-configurational time-dependent Hartree (MCTDH) approach for accurate high-dimensional quantum dynamics simulations; devised various related schemes as the correlation discrete variable representation (CDVR) for high-dimensional quadrature or recursive formulas for the implementation of multi-layer MCTDH; Investigated the wave packet dynamics on conical intersecting potential energy surfaces; Developed a rigorous quantum transition state concept for the calculation of thermal rate constants and quantum state-resolved reaction probabilities; presented the first accurate quantum dynamics calculations studying tetra-atomic and six-atomic chemical reactions; introduced the loss of memory concept to explain product state distributions; Detailed investigation of intramolecular proton transfer in polyatomic molecules using high-dimensional MCTDH calculations; Demonstrated the entanglement of rotational and vibrational motion in CH₅⁺; Developed approaches for the construction of adiabatic and coupled diabatic potential energy surfaces used in quantum dynamics simulations;