Mitglieder
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Gruppenleiter
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Prof. Dr. Ricardo Mata |
| CV (pdf) | Google Scholar | |
| Raum 4.125 | |
| Tel. +49-(551) 39-23149 | |
Sekretariat
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Martina Plaettner |
| Raum 4.126 | |
| Tel. +49-(551) 39-23132 | |
Wissenschaftliche Mitarbeiter
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Dr. Rainer Oswald |
| Forschungsthemen: | |
| Raum 4.124 | |
| Tel. +49-(551) 39-33151 | |
Post Docs
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Xaiza Aniban (BENCh) |
| Forschungsthemen: Local orbital analysis of electronic correlation in molecular systems | |
| Raum 4.128 | |
| Tel. +49-(551) 39-12753 | |
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Dr. Sophia Bazzi |
| Forschungsthemen: Identification of novel biological patterns through machine learning and atomistic simulations | |
| Raum 4.120 | |
| Tel. +49-(551) 39-33131 | |
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Dr. Benjamin Schröder (BENCh) |
| Forschungsthemen: Computational (ro)vibrational spectroscopy | |
| Raum 4.226 | |
| Tel. +49-(551) 39-23893 | |
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Dr. Jon Uranga |
| Forschungsthemen: Enzyme reactivity and communication | |
| Raum 4.120 | |
| Tel. +49-(551) 39-33131 | |
Doktoranden
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Lukas Hasecke (BENCh) | |
| Forschungsthemen: Entwicklung von Multikomponenten-Methoden mit Skalierung niedriger Ordnung | ||
| Raum 4.115 | ||
| Tel. +49-(551) 39-12753 | ||
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Björn Hein-Janke | |
| Forschungsthemen: An automated robust nudged elastic band method in internal coordinates | ||
| Raum 4.115 | ||
| Tel. +49-(551) 39-12753 | ||
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Johannes Kircher | |
| Forschungsthemen: Prediction of reactivity with density functional theory and machine learning | ||
| Raum 4.117 | ||
| Tel. +49-(551) 39-33120 | ||
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Anton Römer (SFB 1073) |
| Forschungsthemen: Theoretical studies of small molecule activation processes | |
| Raum 4.115 | |
| Tel. +49-(551) 39-12753 | |
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Jin Ye | |
| Forschungsthemen: QM/MM Embedding | ||
| Raum 4.128 | ||
| Tel. +49-(551) 39-23457 | ||
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Tlektes Zhanabekova (BENCh) | |
| Forschungsthemen: Extrapolation of correlation energies based on local orbitals representations | ||
| Raum 4.117 | ||
| Tel. +49-(551) 39-33120 | ||
Masterstudenten
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Johannes Diedrich | Forschungsthemen: Molecular descriptors for machine-learning density functionals |
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Rafael Machleid | |
| Forschungsthemen: Annäherung an die Genauigkeit von Wellenfunktionsmethoden für Spin-Crossover-Ereignisse in Fe/Co-Komplexen | ||
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Maike Mücke | Forschungsthemen: High-Throughput Screening und Charakterisierung von Redox-Bindungen in Proteinsystemen |
Bachelorstudenten
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Steffen Henninger | Forschungsthemen: Anwendungen nichtlinearer Kombinationen von atomaren Koordinaten in der Exploration von Reaktionsmechanismen |
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Wieland Mäde | Forschungsthemen: Theoretische Untersuchung enatioselektiver Ringschlussreaktionen |