Qurat Ul Ain
Qurat's PhD research focuses on gas capture using ionic liquids.
Chemistry PhD Student
School of Chemical and Physical Sciences
Profile
I am a PhD student from Pakistan, currently funded through the Wellington Doctoral Scholarship. I am working in Hunt Research group under supervision of Prof. Patricia Hunt. My research focuses on Ionic liquids (ILs) for gas capture. I am specifically investigating how individual IL ions interact with gas molecules and how the counter-ion stabilizes/ destabilizes the resultant ion-gas complex. The project employs quantum chemical calculations and range of computational techniques to understand the interactions responsible for the absorption of gas molecules in ILs.
Alongside my research, I am a Centre representative of MacDiarmid Emerging Scientists Association (MESA) and a General Secretory of Victoria Pakistan Student Association (VPSA).
Qualifications
Bachelor of Science (Hons) in Chemistry, University of Education
Research interests
Gas capture, ionic liquids.
PhD topic
Gas Capture Using Ionic liquids (ILs)
Supervisor
Prof Patricia Hunt, School of Chemical and Physical Sciences
Associated labs
Publications
MH Butt, QU Ain, MA Yawer, A Lakhani, MA Hashmi; Carboxyl substituted Bambus [6] uril as a novel macrocyclic receptor for cyanide anion: A DFT study; Computational and Theoretical Chemistry 1222, 114081 (2023).
QU Ain, MA Hashmi, A Ayub, A Lakhani, K Ayub; Theoretical investigation of the CO oxidation mechanism over Mn-corrole as a Single Atom Catalyst; Materials Science in Semiconductor Processing 169, 107905 (2024).
F Yaseen, MA Hashmi, QU Ain, A Lakhani, K Ayub; The first-row transition metal-corrole complexes as a single atom catalyst for electrochemical hydrogen evolution reaction: A DFT insight; International Journal of Hydrogen Energy 57, 1389-1397 (2024).
QU Ain, G D. Recalde, D. Harnish, E. Drapper, MA Hashmi, A Lakhani; Integrating WebMO in General Chemistry; Chem. Educator 30, 78-84 (2025).