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
Team members
Scientist
Momir Malis
Research Interest: Nonadiabatic molecular dynamics, surface hopping, method development
Postdoc
Polydefkis Diamantis
Research Interest: QM/MM MD, redox potentials, biologically relevant systems
Postdoc
Kota Hanasaki
Research Interest: RT-TDDFT, nonadiabatic dynamics, method development
Alumni
Luis Ignacio Hernandez Segura – PostDoc (2026)
Prof. Subrahmanyam Sappati – Visiting Professor
Muhammad Jabaly – Visiting PhD
Anna Kelemen – PhD (2026)
Ziwei Chai – PostDoc (2026)
Ke Chen – PostDoc (2026)
Arianit Avdyli – MSc Student (2025)
Konstantin Komarov – PostDoc (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)