For three months (May – July 2025) I had the opportunity to carry out a Short-Term Scientific Mission (STSM) at the University of Innsbruck. During this period, I worked under the supervision of Dr. Doris Braun. We focused on exploring the solid-state landscape of phenylpiracetam, a compound known to form enantiomeric solid solutions, which hinder its chiral resolution.

During my time in Innsbruck, I had the chance to learn about crystal structure prediction (CSP) and apply this knowledge to the problem of phenylpiracetam, with the aim of complementing the experimental studies carried out by other members of the action (Yihua Jiang and Tom Leyssens from UCLouvain, and Artis Kons from the University of Latvia). The initial focus of the study was on performing a conformational analysis of the molecule. By mapping the possible conformations, the most relevant torsional angles to include in the CSP workflow were identified. his preliminary work laid the foundation for the subsequent Z′ = 1 CSP search, which confirmed that the most stable predicted packing corresponds to the new RS-polymorph recently determined from PXRD experiments. This result provided helpful computational support to the experimental findings within the Action. In parallel, I started a more demanding Z′ = 2 CSP search, which is still ongoing.

Overall, this STSM was a very enriching experience both personally and scientifically, which enabled me to learn how to integrate computational and experimental data. I had the opportunity to learn new computational methods and apply them to a relevant case study, all while benefiting from the support and patience of Dr. Doris Braun, who guided me throughout the project. Finally, living in Innsbruck, with its beautiful mountains and welcoming atmosphere, made these months even more rewarding.