News

Academy of Finland Research Fellow awarded to Miguel Caro

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 …

Digging into materials nanostructure through computational spectroscopy

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 COMPEX project just started

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 …