The vibrational motion of atoms and molecules dictate many of the physical and chemical properties of solids, including their thermal and mechanical responses. We have recently demonstrated how material vibrations also underpin the chemistry of molecular solids exposed to dynamic mechanical stress: i.e. their mechano-chemical reactivity.(Michalchuk et al (2021) J. Chem Phys 154, 064105; Michalchuk et al (2019) 7, 19539) The ability to selectively tune material vibrations therefore promises a new direction for guiding both material functional properties and their chemical reactivity. This project uses ab initio simulation and aims to better understand how crystal vibrations can be tuned towards understanding and controlling mechano-chemical reactivity.

Candidate Profile

• Successfully completed scientific university studies (Master's degree or equivalent) in the field of physics, chemistry or a cognate discipline. For foreign educational qualifications, please send relevant proof of equivalence with a German qualification. More info at http://www.kmk.org/themen/anerkennung-auslaendischer-abschluesse.html.

• Programming knowledge (Python or similar)

• Knowledge of materials simulation methodologies is beneficial

• Knowledge of machine learning methodologies is beneficial

• Excellent knowledge of written and spoken English is a prerequisite

Informal inquiries can be made to Dr Adam Michalchuk, [email protected]

For further information and formal applications see https://www.bam.de/umantis/EN/966.html