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 for computational chemistry, University of Zurich (Switzerland)
Team members
Postdoc
Ziwei Chai
Research Interest: Hubbard-corrected DFT (DFT+U) and method implementation
Postdoc
Ke Chen
Research Interest: Machine learning applications in chemistry and materials, the development of physics-inspired machine learning methods
Postdoc
Fabrizio Creazzo
Research Interest: Oxygen evolution reaction (OER) on metal oxide surface and DFT-MD
Postdoc
Konstantin Komarov
Research Interest: High-performance strategy investigation and quantum theory development
Postdoc
Momir Malis
Research Interest: Nonadiabatic molecular dynamics, surface hopping, and method implementation
Postdoc
Johann Mattiat
Research Interest: RT-TDDFT, Raman spectra calculation, and method implementation
Postdoc
Luis Ignacio Hernandez Segura
Research Interest: (SF)TDDFT, excited states, spectroscopy, DFT
PhD Student
Tjeerd de Jong
Research Interest: Excited state dynamics, vibronic coupling, catalysis & reactivity
PhD Student
Rangsiman Ketkaew
Research Interest: Enhanced sampling, machine learning, graph theory, catalysis, electron transfer, and method implementation
PhD Student
Deqi Tang
Research Interest: Oxygen evolution reaction (OER) on metal oxide surface and DFT-MD
Alumni
Ravi Kumar – PostDoc (2022)
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)