CV

Education

Ph.D in Materials Science and Engineering, Friedrich-Alexander-Universität Erlangen-Nürnberg, 2023
M.Sc. Physics and new technologies, Haasan II university, 2017
B.Sc. Physics and applications, Hassan II university, 2015

Work experience

Jan 2025 - : Postdoctoral scientist @ Federal Institute for Materials Research and Testing (BAM)
- Design automated workflows for various atomistic simulations
- Develop analysis tools for interpreting atomistic simulation data
- Conduct simulations to investigate the mechanisms behind intermittent aging in glasses
- Work on topics related to glasses, including bioactive glasses, metallic glasses, and mechanical properties.
Jul 2022 - Dec 2024: Postdoctoral Research Associate @ Saarland University
- Performed atomistic simulations that uncovered new mechanisms of ice friction
- Conducted the largest realistic atomistic simulations of nanoindentation in metallic glasses, revealing a potential link between the fragile-to-strong liquid transition and room-temperature mechanical behavior
- Led side projects on the mechanical properties of glasses, bioactivity, phase separation in oxide glasses, and machine learning approaches to segregation spectrum analysis
- Served as a teaching assistant for five semesters, delivering two hours of lectures and two hours of tutorials per week to master’s students
- Created lecture content from scratch in theoretical materials physics and computational materials physics
- Designed and led tutorials, wrote exam questions, and supervised students throughout the courses
Jul 2021 - Dec 2022: Guest Scientist @ Max Planck Institute for Sustainable Materials
Apr 2018 - Apr 2022: Research Associate @ Friedrich-Alexander-Universität Erlangen-Nürnberg
- Performed atomistic simulations to uncover the origins of structural anisotropy in oxide glasses
- Studied the impact of defects on the mechanical behavior of oxide glasses
- I contributed to side projects on the mechanisms of dislocation motion in Laves phases, bioactivity in oxide glasses, and some other topics related to glasses.
- Participated as a teaching assistant in lectures by leading tutorial sessions and pre-courses on Linux and atomistic simulations

Software

atomex — Python package for analyzing atomistic simulation and experimental data. Features include radial distribution functions, vibrational density of states, ring statistics, persistent homology, and coordination analysis. Sole developer and maintainer. pip install atomex
amorphouspy — End-to-end workflows for computational glass science, covering structure generation, melt-quench simulations with LAMMPS, and property calculation (elastic moduli, viscosity, CTE). Lead developer; collaboration with BAM, Schott AG, and MPIE.

Publications

Solute co-segregation mechanisms at low-angle grain boundaries in magnesium: A combined atomic-scale experimental and modeling study

R. Pei, J. Petrazoller, A. Atila, S. Arnoldi, L. Xiao, X. Liu, H. Wang, S. Korte-Kerzel, S. Berbenni, T. Richeton, J. Guénolé, Z. Xie, T. Al-Samman. "Solute co-segregation mechanisms at low-angle grain boundaries in magnesium: A combined atomic-scale experimental and modeling study." Acta Materialia. (121947).

Revealing the void-size distribution of silica glass using persistent homology

A. Atila, Y. Bakhouch, Z. Xie. "Revealing the void-size distribution of silica glass using persistent homology." Materialia. 44(102613).

Cold self-lubrication of sliding ice

Atila et al.. "Cold self-lubrication of sliding ice." Physical Review Letters. (2025).

Predicting grain boundary segregation in magnesium alloys: An atomistically informed machine learning approach

Xie, Atila, Guénolé, Korte-Kerzel, Al-Samman, Kerzel. "Predicting grain boundary segregation in magnesium alloys: An atomistically informed machine learning approach." Journal of Magnesium and Alloys.

Plasticity of metallic glasses dictated by their state at the fragile-to-strong transition temperature

Atila, Sukhomlinov, Honecker, Müser. "Plasticity of metallic glasses dictated by their state at the fragile-to-strong transition temperature." Acta Materialia. 286().

On the relationship between water adsorption and surface chemistry in soda‐lime silicate glasses

Atila. "On the Relationship between Water Adsorption and Surface Chemistry in Soda‐lime Silicate Glasses." ChemPhysChem. 25(24)(2024).

Short and medium range order in the rapidly solidified metallic liquid Ta: Atomic packing, connection modes, and pressure effect

Houba, El Ayoubi, Samiri, Atila, Hasnaoui. "Short and medium range order in the rapidly solidified metallic liquid Ta: Atomic packing, connection modes, and pressure effect." Materialia. 38().

On the structure and icosahedral interconnectivity in Tantalum monatomic glass produced under pressure

Kbirou, Atila, Hasnaoui. "On the structure and icosahedral interconnectivity in Tantalum monatomic glass produced under pressure." Physica Scripta. 99(8) (2024).

The origin of phase separation in binary aluminosilicate glasses

Kharouji, Hasnaoui, Atila. "The origin of phase separation in binary aluminosilicate glasses." Materialia. 36(2024).

Pressure‐driven homogenization of lithium disilicate glasses

Bakhouch, Buchner, Silveira, Resende, Pereira, Hasnaoui, Atila. "Pressure‐driven homogenization of lithium disilicate glasses." Journal of the American Ceramic Society. 107(7) (2024).

Atomistic origins of deformation-induced structural anisotropy in metaphosphate glasses and its influence on mechanical properties

Atila, Bitzek. "Atomistic origins of deformation-induced structural anisotropy in metaphosphate glasses and its influence on mechanical properties." Journal of Non-Crystalline Solids. 627().

Topology of anisotropic glasses from persistent homology analysis

Pan, Atila, Bitzek, Wondraczek. "Topology of Anisotropic Glasses from Persistent Homology Analysis." Journal of Non-Crystalline Solids. 627(122801).

Exploring solute behavior and texture selection in magnesium alloys at the atomistic level

Mouhib, Xie, Atila, Géunolé, Korte-Kerzel, Al-Samman. "Exploring Solute Behavior and Texture Selection in Magnesium Alloys at the Atomistic Level." Acta Materialia. (2024).

The origin of deformation induced topological anisotropy in silica glass

Ganisetti, Atila, Guénolé, Prakash, Horbach, Wondraczek, Bitzek. "The origin of deformation induced topological anisotropy in silica glass." Acta Materialia. 257().

Influence of Structure and Topology on the Deformation Behavior and Fracture of Oxide Glasses

Influence of Structure and Topology on the Deformation Behavior and Fracture of Oxide Glasses, Doctoral thesis, 2023.

The boson peak in silicate glasses: insight from molecular dynamics

El Hamdaoui, Ghardi, Atila, Jabraoui, Badawi, Hasnaoui, Ouaskit. "The boson peak in silicate glasses: insight from molecular dynamics." Physical Chemistry Chemical Physics. 25(45).

Unveiling the mechanisms of motion of synchro-Shockley dislocations in Laves phases

Xie, Chauraud, Atila, Bitzek, Korte-Kerzel, Guénolé. "Unveiling the mechanisms of motion of synchro-Shockley dislocations in Laves phases." Physical Review Materials. 7(5).

Thermally activated nature of synchro-Shockley dislocations in Laves phases

Xie, Chauraud, Atila, Bitzek, Korte-Kerzel, Guénolé. "Thermally Activated Nature of Synchro-Shockley Dislocations in Laves Phases." Scripta Materialia. 235(115588).

Density-diffusion relationship in soda-lime phosphosilicate

Ouldhnini, Atila, Ouaskit, Hasnaoui. "Density-Diffusion Relationship in Soda-Lime Phosphosilicate." Journal of Non-Crystalline Solids. 590().

Atomistic insights into the mixed-alkali effect in phosphosilicate glasses

Atila, Ouldhnini, Ouaskit, Hasnaoui. "Atomistic insights into the mixed-alkali effect in phosphosilicate glasses." Physical Review B. 105(13).

Atomistic insights into the structure and elasticity of densified 45S5 bioactive glasses

Ouldhnini, Atila, Ouaskit, Hasnaoui. "Atomistic insights into the structure and elasticity of densified 45S5 bioactive glasses." Physical Chemistry Chemical Physics. 23(28).

On the presence of nanoscale heterogeneity in Ni₁₅Co₁₅Al₇₀ metallic glass under pressure

Atila, Kbirou, Ouaskit, Hasnaoui. "On the Presence of Nanoscale Heterogeneity in Ni₁₅Co₁₅Al₇₀ Metallic Glass Under Pressure." Journal of Non-Crystalline Solids. 550(120381).

Ionic self-diffusion and the glass transition anomaly in aluminosilicates

Atila, Ouaskit, Hasnaoui. "Ionic self-diffusion and the glass transition anomaly in aluminosilicates." Physical Chemistry Chemical Physics. 22(30).

Computational insights into the structure of barium titanosilicate glasses

Ghardi, Atila, Badawi, Hasnaoui, Ouaskit. "Computational Insights into the Structure of Barium Titanosilicate Glasses." Journal of the American Ceramic Society. 102(6626).

Atomistic insights into the impact of charge balancing cations on the structure and properties of aluminosilicate glasses

Atila, Ghardi, Ouaskit, Hasnaoui. "Atomistic insights into the impact of charge balancing cations on the structure and properties of aluminosilicate glasses." Physical Review B. 100(144109).

Alumina effect on the structure and properties of calcium aluminosilicate in the percalcic region: A molecular dynamics investigation

Atila, Ghardi, Hasnaoui, Ouaskit. "Alumina effect on the structure and properties of calcium aluminosilicate in the percalcic region: A molecular dynamics investigation." Journal of Non-Crystalline Solids. 525(119470).

Service

I reviewed 90+ paper for different journals (e.i., Nature Physics, Nature Communications, NPJ Computational Materials, Journal of Non-Crystalline Solids, Acta Materialia, Journal of Applied Physics, Journal of Materials Science, Scientific Reports, Applied Physics Letters, Chemistry - An Asian Journal, Journal of the American Ceramic Society, Physical Review E, The Journal of Physical Chemistry, ….)

Dr. Achraf Atila

CV

Education

Work experience

Software

Publications

Talks

Teaching

Service