People

Gruppenfoto_AK_Mata_klein
Group Photo (September 2021)

Group Leader

Ricardo Mata Prof. Dr. Ricardo Mata
CV (pdf) | Google Scholar
Room 4.125
Tel. +49-(551) 39-23149
e-mail

Administration

MartinaPlaettner Martina Plaettner
Room 4.126
Tel. +49-(551) 39-23132
e-mail

Academic Staff

Oswald (picture) Dr. Rainer Oswald
Research Topics:
Room 4.124
Tel. +49-(551) 39-33151
e-mail


Post Docs

Sophia_Bazzi Dr. Sophia Bazzi
Forschungsthemen: Identification of novel biological patterns through machine learning and atomistic simulations
Raum 4.120
Tel. +49-(551) 39-33131
e-mail

Benjamin_Schröder Dr. Benjamin Schröder (BENCh)
Forschungsthemen: Computational (ro)vibrational spectroscopy
Raum 4.226
Tel. +49-(551) 39-23893
e-mail

Jon Uranga Dr. Jon Uranga
Research Topics: Enzyme reactivity and communication
Room 4.120
Tel. +49-(551) 39-33131
e-mail


PhD Students

Xaiza Aniban Xaiza Aniban (BENCh)
Research Topics: Local orbital analysis of electronic correlation in molecular systems
Room 4.115
Tel. +49-(551) 39-12753
e-mail

Lukas Hasecke v2 Lukas Hasecke (BENCh)
Research Topics: Development of low-order scaling multicomponent methods
Room 4.115
Tel. +49-(551) 39-12753
e-mail

Bjorn Hein-Janke Björn Hein-Janke
Research Topics: An automated robust nudged elastic band method in internal coordinates
Room 4.115
Tel. +49-(551) 39-12753
e-mail

Johannes Kircher Johannes Kircher
Research Topics: Prediction of reactivity with density functional theory and machine learning
Room 4.117
Tel. +49-(551) 39-33120
e-mail

Anton Römer Anton Römer (SFB 1073)
Research Topics: Theoretical studies of small molecule activation processes
Room 4.115
Tel. +49-(551) 39-12753
e-mail

JinYe_v2 Jin Ye
Research Topics: QM/MM Embedding
Room 4.128
Tel. +49-(551) 39-23457
e-mail

Tlektes Zhanabekova Tlektes Zhanabekova (BENCh)
Research Topics: Extrapolation of correlation energies based on local orbitals representations
Room 4.117
Tel. +49-(551) 39-33120
e-mail


Master Students

Johannes Diedrich Johannes Diedrich
Research Topics: Molecular descriptors for machine-learning density functionals
e-mail

Rafael_Machleid_Master_Mata Rafael Machleid
Forschungsthemen: Approaching wave function accuracy for spin-crossover events in Fe/Co-complexes
e-mail

Maike Mucke Maike Mücke
Research Topics: Data selection algorithms for machine learned density functionals
e-mail


Bachelor Students

Steffen Henninger
Forschungsthemen: Application of non-linear combinations of atomic coordinates in mechanisms exploration
e-mail

Wieland Mäde
Research Topics: Computational studies of enatioselective ring closure reactions
e-mail


Others