Science

At present, I work the University of Leeds, studying the interaction between tip and sample in non-contact Atomic Force Microscopy. Before this, I worked at the Graz University of Technology, simulating the interaction between molecules and inorganic substrates.

On the career page, I have discussed my professional journey in depth. Here, I list the scientific articles I have co-authored, software I have written and the (external) talks I have delivered.

Software

Name

License

Purpose

ATMOS

The Unlicense

A extensible wrapper making use of xarray, that allows one to read output from atomistic simulation programs, store it as NetCDF (HDF5) and perform common data manipulations, including the full range provided by numpy.

BaseCode

Closed

The ancestor of ATMOS, limited in terms of data storage and extensibility. Active development stopped circa late 2020 in favour of ATMOS.

QuESt

Undecided

Developed as a part of a hackathon as collaborative effort, my contribution was the interactive notebook and its integration with BinderHub using thebe. The notebook could then be used to perform quantum mechanical simulations of molecules using a classical computer and quantum computer simulator. It was a quick and wonderful adventure but the code (and repository) reflect the rush of the project. I do plan to pick it up and clean it one day!

Talks

excluding those given at home institution

Year

Title

Event

2017

Intentional Modification of Electronic Structure in TMDs using Electrostatics

Interface Properties in Organic Electronics: Key Challenges, Paris

2017

Understanding the planarization of shuttle-cock shaped subphthalocyanine molecule on Cu(111) surface

Spring Meeting of the German Physical Society, Dresden

2017

Understanding the adsorption of shuttle-cock shaped subphthalocyanine molecule on Cu(111) surface

Seminar Talk at Department of Physics, University of Milan, Milan

2015

Strong Interaction between Subphthalocyanines and Copper (111): A computational study

Annual Meeting of the German Physical Society, Berlin

2014

Understanding the adsorption of ClB-SubPc on Cu (111) as a prototypical example for strong metal-molecule interactions

ThinFace Summer School: Stability, reliability and promises of organic systems, Sønderborg

External databases