Category: news

Niamh O’Neill undertook her viva today, and passed with minor corrections — many congratulations to Dr. O’Neill! During her tenure with the FAST group, Niamh’s research focused on studying ion paring interactions at chemical accuracy and beyond, as well as scaling coupled cluster calculations for high-accuracy condensed phase simulations. She will be starting a postdoc […]

Read more

Our latest work, led by Sam and featured on the cover of the JCP, delves into the complexities of the CO2–H2O interface using machine-learned potentials. The work, also highlighted in a Scilight article, offers new insights into interfacial tension and CO2 phase behavior, with implications for climate research and carbon capture technologies.

Read more

The question of ion-pairing in sodium chloride has puzzled scientists for decades, with no clear consensus on the relative stability of contact versus solvent-separated ion pairs due to the delicate balance of interactions involved. Published in the Journal of Physical Chemistry Letters J. Phys. Chem. Lett. 2024, 15, 23, 6081–6091, our latest research utilizes explicitly-correlated […]

Read more