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
Dr. Sophia Bazzi | |
Research topics: Identification of novel biological patterns through machine learning and atomistic simulations | |
Room 4.120 | |
Tel. +49-(551) 39-33131 | |
Dr. Martí Gimferrer | |
Research topics: Nuclear quantum effects and chemical bonding characterization | |
Room 4.120 | |
Tel. +49-(551) 39-33131 | |
Dr. Benjamin Schröder (BENCh) | |
Research topics: Computational (ro)vibrational spectroscopy | |
Room 4.226 | |
Tel. +49-(551) 39-23893 | |
PhD Students
Maximilian Breitenbach | ||
Development of correlated multicomponent methods | ||
Room | ||
Tel. | ||
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 | ||
Maike Mücke (BENCh) | |
Research Topics: Quantum mechanic based exploration of reaction pathways | |
Room 4.117 | |
Tel. +49-(551) 39-33120 | |
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
Lynn Meeder | ||
Research Topics: Implementation of a scalable automated reaction pathway finder | ||
Laura Schiebel | ||
Research Topics: Electron-Proton Correlation in Molecular Systems | ||
Bachelor Students
Marlene Heidhues | Research Topic: Investigation of Computational Protocols for Stereoselectivity |
Judith Hoffmann | Research Topic: Investigation of nuclear quantum effects in molecular reactivity |
Sven Lange | Research Topic: Active learning for potential energy surfaces |
Hannah Scheufele | Research Topic: Automated exploration of reaction intermediates through the use of diffusion models |