Postdoctoral Research Fellow

My research is concerned with modelling charge transfer processes of molecules adsorbed or scattered on metal surfaces through first-principles electronic structure calculations and effective machine learning-based Hamiltonians. I am interested in simulating the ultrafast dynamics of such systems to gain insights into the underlying mechanisms and allow for direct comparison to surface spectroscopic measurements. I am also working on generative machine learning-based molecular and nanomaterials design.

Publications

Google ScholarLink opens in a new window

Academic Background

2020-2023	Postdoctoral Research Fellow with Prof. Edina Rosta	University College London
2019-2020	Postdoctoral Research Fellow with Prof. Edina Rosta	King's College London
2015-2019	PhD in Theoretical Chemistry with Prof. Thomas-Christian Jagau	University of Munich (LMU)
2013-2015	MSc in Chemistry. Graduate Researcher with Prof. Péter G. Szalay	Eötvös Loránd University
2010-2013	BSc in Chemistry. Undergraduate Researcher with Prof. Péter G. Szalay and Dr. András Stirling	Eötvös Loránd University