Felix Plasser - Homepage

Home

I am postdoctoral researcher at the Institute for Theoretical Chemistry at the University of Vienna. Currently, I am working in the Gonzalez Research Group in a project sponsered by the Vienna Scientific Cluster concerned with optimizing the performance of parallel multi-reference configuration interaction computations within the COLUMBUS program package to be used for non-adiabatic dynamics simulations.

My research is devoted to understanding interactions of molecules with light in systems of biological or technological interest. It is a special desire of mine to not only perform technically correct computer simulations but to maximize the understanding that can be gained. Furthermore, I am involved in the simulation of the ultrafast dynamical processes occuring after a molecule is excited by a photon.

Read the "motivation for research" page to get a general overview of why we are doing this kind of work. A more detailed description of my research is provided to explain my specific work, to list the program packages I have been involved with, and to give an overview over my publications. Feel free to contact me if you have any questions.

Selected publications

Mewes, S. A.; Plasser, F.; Dreuw, A.
Universal Exciton Size in Organic Polymers is Determined by Non-Local Orbital Exchange in TDDFT
J. Phys. Chem. Lett. 2017, 8, 1205.
Plasser, F.; González, L.
Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps
J. Chem. Phys. 2016, 145, 021103.
Plasser, F.; Dreuw, A.
High-Level Ab Initio Computations of the Absorption Spectra of Organic Iridium Complexes J. Phys. Chem. A 2015, 119, 1023.
Plasser, F.; Crespo-Otero, R.; Pederzoli, M.; Pittner, J.; Lischka, H.; Barbatti, M.
Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study
J. Chem. Theo. Comp. 2014, 10, 1395.
Plasser, F.; Pasalic, H.; Gerzabek, M. H.; Libisch, F.; Reiter, R.; Burgdörfer, J.; Mueller, T.; Shepard, R.; Lischka, H.
The Multiradical Character of One- and Two-Dimensional Graphene Nanoribbons
Angew. Chem., Int. Ed. 2013, 52, 2581.
Iridium complex
Figure: Attachment/detachment densities of the lowest singlet excited state in an iridium complex.