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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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. Martí Gimferrer |
| Forschungsthemen: Nuclear quantum effects and chemical bonding characterization | |
| 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 | |
Doktoranden
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Maximilian Breitenbach (SFB) | |
| Forschungsthemen: Development of correlated multicomponent methods | ||
| Raum 4.117 | ||
| Tel. +49-(551) 39-33120 | ||
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Lukas Hasecke (BENCh) | |
| Forschungsthemen: Entwicklung von Multikomponenten-Methoden mit Skalierung niedriger Ordnung | ||
| Raum 4.117 | ||
| Tel. +49-(551) 39-33120 | ||
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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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Maike Mücke (BENCh) |
| Forschungsthemen: Quantum mechanic based exploration of reaction pathways | |
| Raum 4.117 | |
| Tel. +49-(551) 39-33120 | |
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Jin Ye | |
| Forschungsthemen: QM/MM Embedding | ||
| Raum 4.145 | ||
| Tel. +49-(551) 39-23457 | ||
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Tlektes Zhanabekova (BENCh) | |
| Forschungsthemen: Extrapolation of correlation energies based on local orbitals representations | ||
| Raum 4.130 | ||
| Tel. +49-(551) 39-33120 | ||
Masterstudenten
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Lynn Meeder | |
| Forschungsthemen: Implementation of a scalable automated reaction pathway finder | ||
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Laura Schiebel | |
| Forschungsthemen: Electron-Proton Correlation in Molecular Systems | ||
Bachelorstudenten
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Marlene Heidhues | Forschungsthemen: Investigation of Computational Protocols for Stereoselectivity |
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Judith Hoffmann | Forschungsthemen: Investigation of nuclear quantum effects in molecular reactivity |
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Sven Lange | Forschungsthemen: Active learning for potential energy surfaces |
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Hannah Scheufele | Forschungsthemen: Automated exploration of reaction intermediates through the use of diffusion models |