Group of Dr. Jagau - Faculty for Chemistry and Pharmacy

Dr. Zsuzsanna Koczor-Benda

Academic Background

2015-2019 Ph.D. in theoretical chemistry, University of Munich (LMU), thesis: "Analytic Gradient Techniques for Investigating the Complex-Valued Potential Energy Surfaces of Electronic Resonances"
2013-2015 M.Sc. Chemistry, Eötvös University, Budapest, Hungary, diploma work: "Computational study on the excited states of DNA bulding blocks", supervisor: Péter G. Szalay
2010-2013 B.Sc. Chemistry, Eötvös University, Budapest, Hungary, diploma work: "Theoretical study on the excited states of nucleotide bases", supervisor: Péter G. Szalay

Scholarships and Awards

2017 Poster Award, 17th European Seminar on Computational Methods in Quantum Chemistry
2016-2018 Ph.D. Fellowship, Verband der Chemischen Industrie

Publications

7. Z. Benda, T.-C. Jagau: Locating exceptional points on multidimensional complex-valued potential energy surfaces, J. Phys. Chem. Lett. 9, 6978-6984 (2018).
6. Z. Benda, T.-C. Jagau: Understanding processes following resonant electron attachment: Minimum-energy crossing points between anionic and neutral potential energy surfaces, J. Chem. Theory Comput. 14, 4216-4223 (2018).
5. Z. Benda, K. Rickmeyer, T.-C. Jagau: Structure optimization of temporary anions, J. Chem. Theory Comput. 14, 3468-3478 (2018).
4. Z. Benda, T.-C. Jagau: Analytic gradients for the complex absorbing potential equation-of-motion coupled-cluster method, J. Chem. Phys. 146, 031101/1-5 (2017).
3. Z. Benda, P.G. Szalay: Characterization of the excited states of DNA building blocks: a coupled cluster computational study, Phys. Chem. Chem. Phys. 18, 23596-23606 (2016).
2. Z. Benda, P. G. Szalay: Details of the excited-state potential energy surfaces of adenine by coupled cluster techniques, J. Phys. Chem. A 118 (32), 6197-6207 (2014).
1. J. Daru, Z. Benda, A. Póti, Z. Novák, A. Stirling: Mechanistic study of silver-mediated furan formation by oxidative coupling, Chem. Eur. J. 20 (47), 15395-15400 (2014).