People
Group Leader
Prof. Dr. Ricardo Mata | |
CV (pdf) | Google Scholar | |
Room 4.125 | |
Tel. +49-(551) 39-23149 | |
Administration
Martina Plaettner | |
Room 4.126 | |
Tel. +49-(551) 39-23132 | |
Academic Staff
Dr. Rainer Oswald | |
Research Topics: | |
Room 4.124 | |
Tel. +49-(551) 39-33151 | |
Post Docs
Xaiza Aniban (BENCh) | |
Research Topics: Local orbital analysis of electronic correlation in molecular systems | |
Room 4.128 | |
Tel. +49-(551) 39-12753 | |
Dr. Sophia Bazzi | |
Forschungsthemen: Identification of novel biological patterns through machine learning and atomistic simulations | |
Raum 4.120 | |
Tel. +49-(551) 39-33131 | |
Dr. Benjamin Schröder (BENCh) | |
Forschungsthemen: Computational (ro)vibrational spectroscopy | |
Raum 4.226 | |
Tel. +49-(551) 39-23893 | |
Dr. Jon Uranga | |
Research Topics: Enzyme reactivity and communication | |
Room 4.120 | |
Tel. +49-(551) 39-33131 | |
PhD Students
Lukas Hasecke (BENCh) | ||
Research Topics: Development of low-order scaling multicomponent methods | ||
Room 4.115 | ||
Tel. +49-(551) 39-12753 | ||
Björn Hein-Janke | ||
Research Topics: An automated robust nudged elastic band method in internal coordinates | ||
Room 4.115 | ||
Tel. +49-(551) 39-12753 | ||
Johannes Kircher | ||
Research Topics: Prediction of reactivity with density functional theory and machine learning | ||
Room 4.117 | ||
Tel. +49-(551) 39-33120 | ||
Anton Römer (SFB 1073) | |
Research Topics: Theoretical studies of small molecule activation processes | |
Room 4.115 | |
Tel. +49-(551) 39-12753 | |
Jin Ye | ||
Research Topics: QM/MM Embedding | ||
Room 4.128 | ||
Tel. +49-(551) 39-23457 | ||
Tlektes Zhanabekova (BENCh) | ||
Research Topics: Extrapolation of correlation energies based on local orbitals representations | ||
Room 4.117 | ||
Tel. +49-(551) 39-33120 | ||
Master Students
Johannes Diedrich | Research Topics: Molecular descriptors for machine-learning density functionals |
Rafael Machleid | ||
Forschungsthemen: Approaching wave function accuracy for spin-crossover events in Fe/Co-complexes | ||
Maike Mücke | ||
Research Topics: High-throughput screening and characterisation of redox linkages in protein systems | ||
Bachelor Students
Steffen Henninger | Forschungsthemen: Application of non-linear combinations of atomic coordinates in mechanisms exploration |
Wieland Mäde | ||
Research Topics: Computational studies of enatioselective ring closure reactions | ||