QCMM Research Featured in International Women’s Day 2025 Collection

The QCMM group is proud to announce that a recent paper co-authored by Dr. Giulia M. Bovolenta and Gabriela Silva-Vera has been included in the Celebrating International Women’s Day 2025: Women in Physical Chemistry special collection by the Royal Society of Chemistry’s Physical Chemistry Chemical Physics (PCCP) journal. This recognition highlights the contributions of women researchers in computational and theoretical chemistry.

The paper, titled “In-depth exploration of catalytic sites on amorphous solid water: I. The astrosynthesis of aminomethanol”, investigates the role of amorphous solid water (ASW) surfaces in catalyzing the formation of aminomethanol (NH₂CH₂OH)—a molecule relevant to interstellar chemistry. Using density functional theory, the study identifies key catalytic sites on ASW where ammonia (NH₃) and formaldehyde (H₂CO) react to form aminomethanol, revealing 14 possible reaction pathways. The results show that dangling OH groups on the ice surface play a crucial role in lowering reaction barriers, providing insights into astrochemical reaction mechanisms on interstellar dust grains. This research was part of Dr. Bovolenta’s PhD thesis within the QCMM group.

Dr. Giulia M. Bovolenta, a former QCMM PhD student, is now a postdoctoral researcher in the Parrinello group at the Italian Institute of Technology. Gabriela Silva-Vera, a current PhD student, has also contributed to this work, reinforcing the presence of women in computational astrochemistry.

The QCMM group remains committed to fostering an inclusive research environment, encouraging more women to pursue careers in computational chemistry, quantum chemistry, and astrochemistry. This publication serves as both a scientific achievement and a testament to the impact of women in theoretical chemistry, driving innovation and excellence in the field.