# Science Earlier, I worked at the University of Leeds, studying the interaction between _tip_ and _sample_ in [non-contact Atomic Force Microscopy](https://nca.fm). Before that, I was at the Graz University of Technology, simulating the interaction between molecules and inorganic substrates. On the [career](/aboutme/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. ## Publications | Year | Title | | ---- | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | | 2020 | [Imaging and manipulation of adsorbed Pb adatom structures on the Si(100) surface by noncontact atomic force microscopy 🎁](https://eprints.whiterose.ac.uk/169330/) [πŸ’Έ](https://doi.org/10.1103/PhysRevB.102.235417) | | 2018 | [van der Waals Interaction Activated Strong Electronic Coupling at the Interface between Chloro Boron-Subphthalocyanine and Cu (111) 🎁](https://doi.org/10.1021/acs.jpcc.8b03675) | | 2018 | [Controlling the electronic properties of van der Waals heterostructures by applying electrostatic design 🎁](https://doi.org/10.1088/2053-1583/aabea6) | | 2017 | [Chemisorption of Pentacene on Pt(111) with a Little Molecular Distortion 🎁](http://hdl.handle.net/10261/167950) [πŸ’Έ](https://doi.org/10.1021/acs.jpcc.7b06555) | | 2016 | [Sticking with the Pointy End? Molecular Configuration of Chloro Boron-Subphthalocyanine on Cu(111) 🎁](https://doi.org/10.1021/acs.jpcc.5b11799) | | 🎁 | Open Access version | | πŸ’Έ | Paid Access version | ## Software | Name | License | Purpose | | ------------------------------------------------------------ | ------------- | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | | [ATMOS](https://gitlab.com/NC-AFM-at-UniLeeds/atmos) | The Unlicense | A extensible wrapper making use of [xarray](http://xarray.pydata.org), that allows one to read output from atomistic simulation programs, store it as NetCDF ([HDF5](https://en.wikipedia.org/wiki/Hierarchical_Data_Format)) and perform common data manipulations, including the full range provided by [numpy](https://numpy.org). | | 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](https://quest-calculator.github.io/QuESt/intro.html) | 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 [TMD](https://en.wikipedia.org/wiki/Transition_metal_dichalcogenide_monolayers)s 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, SΓΈnderborg | ## External databases - [ORCID](https://orcid.org/0000-0002-2174-5226) - [Google Scholar](https://scholar.google.com/citations?user=iXfN9ewAAAAJ)