 Univ.-Prof. Dr. Dr. h.c. Leticia González | - 2024 Visiting Scientist at the Department of Chemistry, Ècole Normale Superieure (ENS) Paris, France
- 2022 Full Member in the Mathematics and Natural Sciences Class of the Austrian Academy of Sciences (ÖAW)
- 2022 Corresponding Member in the Mathematics and Natural Sciences Class of the Göttingen Academy of Sciences and Humanities in Lower Saxony
- 2020 Xingda Lectureship, Peking University of China
- 2020 Almlöf-Gropen lecture, University of Oslo, Norway
- 2019 Prize for Excellent Research from the Spanish Royal Society in Chemistry (RSEQ) (see news in Angewandte Chemie)
- 2019 Robert Bunsen-Lecture Prize, DBG (German Bunsen Society)
- 2019 Corresponding member in the Mathematics and Natural Sciences Class of the Austrian Academy of Sciences (ÖAW)
- 2018 Fellow of the European Academy of Sciences
- 2018 Doctor Honoris Causa, by the Université de Lorraine, France
- 2018 Gauß Professorship, Göttingen Academy of Sciences and Humanities in Lower Saxony
- 2018 ChemPubSoc Europe Fellow (Class 2016/2017)
- 2018 Elected member of the International Academy of Quantum Molecular Sciences (IAQMS)
- 2015 Guest Professor at the Université de Lorraine, France
- 2014 Löwdin lecturer, Uppsala Universitet
- 2013 Gesellschaft Österreichischer Chemiker (GÖCH) Lecturer
- 2011 Dirac medal, "World Association of Theoretical and Computational Chemists"
- 2006 Visiting Scientist at Northwestern University, Evanston, IL, USA
- 2006 Heisenberg Stipendium, Deutsche Forschungsgemeinschaft (DFG)
- 2005 Guest Professorship Award, Berliner Frauenförderung
- 2005 SIGMA-ALDRICH Award for best Young Researchers, Spanish Royal Society of Chemistry, Spain
- 2005 Rosalind-Franklin Fellowship, Rijksuniversiteit Groningen, Netherlands (not accepted)
- 1999 Alexander von Humboldt Fellowship
- 1999 Best PhD Thesis year 1998/1999, Faculty of Sciences, Universidad Autónoma de Madrid
- 1995-1998 PhD Fellowship, Spanish Ministry of Sciences
- 1994-1995 PhD Fellowship, Universidad Autónoma de Madrid
- 1994-1995 Erasmus Scholarship
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 Dr. Sebastian Mai | - 2017 Karl-Schlögl Prize of the Austrian Academy of Sciences for best dissertation
- 2017 Loschmidt Prize of the Chemical-Physical Society Vienna for best dissertation
- Winner of a poster prize, STC2014
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 Dr. Boris Maryasin | - 2022 Austrian representative at the Young Investigator Workshop 2022
- 2022 Thieme Chemistry Journals Award
- 2021 Best Oral Presentation Audience Award European Chemical Society
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 Richard Jacobi | - 2023 Best Poster at 1st Conference on Light Induced Transformations (LIT 23)
- 2023 Best Poster at CataLight Symposium
- 2023 Best Oral Contribution Price at 3rd International DoSChem Student Symposium
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 Lorenz Grünewald | - 2024 Best Poster at the 11th Triennial Congress of the International Society for Theoretical Chemical Physics (ISTCP24)
- 2024 Panel A DoSChem Retreat: Best Poster Award
- 2022 Panel A DoSChem Retreat: Best Talk Award
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 Simon Tippner | - 2023 Best Poster at CataLight Symposium
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 Patrick Lechner | - 2024 19th Central European Symposium on Theoretical Chemistry: Best Poster Award
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 Dr. Johannes Dietschreit | - 2021 Postdoc Scholarship of the German Academy of Sciences Leopoldina
- 2021 Sigrid Peyerimhoff Dissertation Award in Theoretical Chemistry awarded by the German Chemical Society (GDCh)
- 2021 Römer Dissertation Award from the Faculty of Chemistry, University of Munich (LMU)
- 2012 Germany Scholarship (Deutschland Stipendium)
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 Dr. Eduarda Sangiogo Gil | - Best Poster Prize. Workshop on Frontiers in Excited State Electronic Structure Methods:
from Spectroscopy to Photochemistry. Trieste, Italy. 2023
- Presentation Session Highlight Prize. XXVIII Salão de Iniciação Científica - SIC. Porto
Alegre, Brazil. 2016
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