Computational materials scientist · BAM, Berlin

I use atomistic simulations to understand how glasses form, deform, and fail.

I am Dr. Achraf Atila. I work at the Bundesanstalt für Materialforschung und -prüfung (BAM) in Berlin on atomistic simulations of inorganic glasses. My research sits at the intersection of materials science and physics: I am strongly interested in the relationship between composition and physical properties of glasses, from the atomic scale up to macroscopic properties, and in building the simulation workflows that make that science possible.

Amorphous materials Molecular dynamics Glass science Structural analysis Fracture mechanics Open-source workflows

News

Selected Publications

All papers, preprints and citation metrics are on the Publications page.

Open-Source Software

amorphouspy

End-to-end workflows for computational glass science — structure generation, melt-quench simulations, property calculation, structural analysis, and a job API that exposes the whole pipeline to LLM agents.

journalfig

Publication-ready matplotlib themes for twelve scientific publishers — exact column widths, compliant fonts, one string to retarget a figure.

More details on the Software page. You can also browse my GitHub and Google Scholar profiles.

In the Press

Our recent paper in Physical Review Letters on the slipperiness of ice attracted broad media coverage: