Bao-Ngan Nguyen-Ha was born in Quy Nhon, a picturesque coastal city at the heart of Vietnam. Her academic started in 2013 when she enrolled at the Van Lang University in Ho Chi Minh City. During her time at the university, she did her first research on experimental synthesis of an organic compound – a benzofuran derivative with phenylacetamide. In 2019, she took the next step in her academic pursuit by enrolling in a master’s program at Quy Nhon University, guided by Professor Vu Thi Ngan. Her master’s thesis centered around the computational exploration of Cr-doped Si clusters, utilizing quantum methods. Bao-Ngan successfully earned her master’s degree in December 2021.
Theoretical modelling and computational screening of cluster reactions for CO2 electro-reduction
During my research for the Catchy project, I will work at Furukawa Electric Institute of Technology in Budapest and be enrolled in the George Olah Doctoral school at BME. My supervisors will be Prof. Tibor Hölztl and my co-supervisor Prof. Nyulaszi. My project aims to simulate bimetallic clusters (for example Zn doped CuO, Ni-Ga complexes) in gas phase and on surfaces by DFT, grand-canonical DFT, molecular dynamics, in order to model an electro-catalytic reaction environment. The objective of these computational studies is to derive the cluster structures in different environments, to understand the reaction mechanisms, and to identify how effective the cluster can be in their catalyst function.