Team
Group Leader
Group Members
PostDoc
Research Interest: Nonadiabatic molecular dynamics, surface hopping, and method implementation
PostDoc
Research Interest: Oxygen evolution reaction (OER) on metal oxide surface and DFT-MD
PostDoc
Research Interest: RT-TDDFT, Raman spectra calculation, and method implementation
PostDoc
Research Interest: Density Functional Perturbation Theory, Maximally localized Wannier functions, Atomic orbital-based response theory
PhD Student
Research Interest: Photocatalyst, nonadiabatic molecular dynamics, and surface hopping
PhD Student
Research Interest: Maximally localized Wannier functions, Real-Time propagation, and method implementation
PhD Student
Research Interest: Enhanced sampling, machine learning, graph theory, catalysis, electron transfer, and method implementation
PhD Student
Research Interest: Oxygen evolution reaction (OER) on metal oxide surface and DFT-MD
PhD Student
Research Interest: Machine Learning, and Post Hartree Fock and Density Functional Theory methods
Group Assistant
Assistant
Alumni
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 Boehler - Master student (2017)
Alejandro Diaz Marquez - Graduate student (2017)