Christel Marian

Born June 4, 1954 in Bad Münstereifel, Germany

Senior Professor of Theoretical and Computational Chemistry, Department of Chemistry, Heinrich Heine University Düsseldorf, Germany

Email:christel.marian@hhu.de
WWW: external link

Member of the International Academy of Quantum Molecular Science (2024), Presidency Member of the North Rhine-Westphalian Academy of Sciences and Arts (2023), Medal of the Heinrich Heine University Düsseldorf (2016), Member of the North Rhine-Westphalian Academy of Sciences and Arts (2014), Zernike Guest Professor at the University of Groningen (2012), Invited Guest Professor at the University Paul Sabatier Toulouse (2011), Member of the Committee for IT Infrastructure of the Deutsche Forschungsgemeinschaft (2010-2016), Board Member of the Arbeitsgemeinschaft Theoretische Chemie (2009-2023), Fellowship of the Deutsche Forschungsgemeinschaft for a Sabbatical at the KTH Royal Institute of Technology Stockholm (2006), Scientific Advisory Board Member of the Alexander von Humboldt Foundation (2003-2011), Nernst-Haber-Bodenstein Prize of the Deutsche Bunsengesellschaft (1994), Habilitation University of Bonn (1991), Postdoctoral Fellowships of the Swedish and German Research Councils(1986-1988), PhD University of Bonn (1980), Diploma in Chemistry University of Bonn (1977)

Author of:

Important Contributions:

• Developed efficient spin–orbit coupling and electron spin–spin coupling methods and utilized these methods to investigate spin-forbidden processes in transition metal compounds and organic molecular systems; Devised DFT/MRCI Hamiltonians with multiplicity independent parameter sets, thus extending the applicability of this powerful semiempirical method to radicals, weakly interacting dimers and multi-chromophoric dyes; Developed (spin)-vibronic coupling approaches to determine spectra and rate constants of radiative and non-radiative transitions in large molecular systems; Extended the monomer transition density approach to investigate excitation energy transfer processes within the context of hyperfluorescence, phosphor-sensitized fluorescence and phosphorescence lifetime imaging; Applied combinations of these methods with the aim to understand and improve singlet and triplet exciton harvesting in OLEDs involving phosphorescent or thermally activated delayed fluorescence (TADF) dopants; Developed empirical force fields for boron nitrides, silicon nitrides and borosilazane ceramic materials and applied them for studying structure-property relationships in non-crystalline solids.