Our latest work (of a long list) on amorphous carbon simulation, titled “Machine learning driven simulated deposition of carbon films: From low-density to diamondlike amorphous carbon” just appeared in Physical Review B (https://doi.org/10.1103/PhysRevB.102.174201, check also on arXiv if you don’t have an APS subscription). This paper is the product of a lot of work, spanning …
I have been awarded the Academy of Finland Research Fellow position (see official decision). This is a fully-funded 5-year personal fellowship that also includes funds for start building (in our case consolidate) a research group, enough to cover one researcher at the postdoctoral level. The project will focus on the development of flexible machine-learning-based reactive …
Our team has secured over 560k EUR of funding to carry out research on electrochemical transformation of CO2 into more valuable C1 compounds, that is, compounds like methane (CH4) and methanol (CH3OH) that can be used as fuels. Miguel Caro is Principal Investigator of the project, which will be a collaboration with coPI Prof. Hannes …
Our two papers on understanding experimental X-ray spectra of materials utilizing simulated references just got accepted (and appeared as “just accepted” manuscripts) in Chemistry of Materials as Part I (more qualitative) & Part II (more quantitative). These papers are a collaboration of our group (Anja Aarva, who did most of the work, Tomi Laurila and …
The Academy of Finland funded COMPEX project (Towards accurate computational experimentation: machine-learning-driven simulation of nanocarbon synthesis) started on September 1st, 2019. This project will focus on developing atomistic simulation tools based on machine learning interatomic potentials to carry out large scale molecular dynamics and long-time-scale dynamics simulations to elucidate the growth mechanisms in carbon nanomaterials …
From July 23rd to July 26th I attended the IEEE Nano 2018 Conference in Cork, Ireland. Since I got my PhD in 2013 precisely from University College Cork, this was a great opportunity to catch up with colleagues, discuss about ongoing collaborations with my former group in Tyndall, learn about the latest developments in Nanoscience …