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November 2024. Sandra and Johan are missing in the picture
Sep. 2024: Sandra Luber and Johann Mattiat are missing
June 2023
June 2023

We are a research group at the Department of Chemistry at the University of Zurich in Switzerland, specializing in theory and modelling at the interface of chemistry, biology, physics, and materials science. Our focus is on forefront methods derived from quantum mechanics and challenging applications.

Teamleader

Professor

Sandra Luber

Professor

University of Zurich (Switzerland)

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Team members

Postdoc

Ziwei Chai

Research Interest: Electrochemistry, method implementation

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Postdoc

Ke Chen

Research Interest: Machine learning applications in chemistry and materials, physics-inspired machine learning methods

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Postdoc

Fabrizio Creazzo

Research Interest: Catalysis, DFT-MD, enhanced sampling

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Postdoc

Kota Hanasaki

Research Interest: RT-TDDFT, nonadiabatic dynamics, method development

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Postdoc

Momir Malis

Research Interest: Nonadiabatic molecular dynamics, surface hopping, method development

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Postdoc

Johann Mattiat

Research Interest: real time propagation, method development

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Postdoc

Luis Ignacio Hernandez Segura

Research Interest: (SF)TDDFT, excited states, spectroscopy, DFT

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PhD Student

Arianit Avdyli

Research Interest: Excited state dynamics

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PhD Student

Tjeerd de Jong

Research Interest: Excited state dynamics, catalysis, reactivity

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PhD Student

Rahul Raj K

Research Interest: Spectroscopy, method development

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PhD Student

Anna Kelemen

Research Interest: Highly accurate vibrational spectroscopy

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PhD Student

Andrey Sinyavskiy

Research Interest: Excited states, method implementation

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PhD Student

Deqi Tang

Research Interest: Catalysis, machine learning, DFT-MD

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Alumni

Arianit AvdyliMSc Student (2025)
Konstantin KomarovPostDoc (2025)
Rangsiman Ketkaew – PhD (2025)
Ravi Kumar – PostDoc (2024)
Lukas Schreder – PhD Student (2024)
Eva Vandaele – PhD Student (2024)
Yannick Schubert – PhD Student (2023)
Yuhang Liu – MSc Student (2023)
Edward Ditler – PhD Student (2023)
Ruocheng Han – PhD Student (2022)
Véronique Floré (KU Leuven, Belgium) – Intern (2022)
Chandan Kumar – PostDoc (2022)
Deepak Ojha – PostDoc (2021)
Ilia Sivkov – PostDoc (2021)
Mauro Schilling – PhD Student (2020), Postdoc (2020)
Federico Mellini – Master Student (2020)
Mauricio Rodríguez-Mayorga – PostDoc (2019)
Karrar Al-Ameed – PostDoc (2019)
Tomáš Zimmermann – PostDoc (2019)
Katharina Rempfer – PhD Student (2019)
Rahele Rostamian – Guest Researcher (2019)
Michael Böhler – Master Student (2017)
Alejandro Diaz Marquez – Graduate Student (2017)