Quantitative atomistic simulations of fracture for hydrogen embrittlement

I am expert in first-principles simulations and development of machine-learning interatomic potentials. These are targeted to carry out atomistic simulations of materials under stress in presence of extended crystal defects (e.g. native cracks, grain boundaries and dislocations).

The method can be employed to study (for example) hydrogen embrittlement.

The method provides quantification of fracture toughness and fracture strength.

Examples of my publications attached as files.

More info on google scholar:

https://scholar.google.se/citations?user=ERhUjT8AAAAJ&hl=sv