Postdocs
Dr. Ignacio Migliaro
Ignacio holds an undergraduate degree in Chemistry with a specialization in physical chemistry, where they focused on geometry optimization algorithms and explored reaction mechanisms for Pt(0) oxidative addition. During their PhD, at University of North Texas, they investigated reaction mechanisms for Frustrated Lewis Pairs (FLP), which ignited a passion for chemical space exploration. This passion led them to develop algorithms for studying FLP chemical space using machine learning. Currently, they are working on machine learning interatomic potentials, particularly their application in materials science, such as crystal structure prediction.
PhD students
Shehan Fernando
Shehan completed a BSc honours in Chemistry at University of Peradeniya in Sri Lanka. His undergraduate thesis was on municipal compost analysis, where a number of analytical methods were utilized for municipal compost quality determination. He is highly enthusiastic about theoretical chemistry and coding, so is in the process of learning more about them.
In the group he is studying the origins of chemical reactivity and catalysis using new electronic structure analysis techniques.
Shehan loves electronics, old motorcycles, old cars, and books. A hike would be nice but, no mountains in Texas : )
Priyanka Maharana
Priyanka completed her undergraduate degree in Chemistry in 2024 at the National Institute of Science Education and Research (NISER) Bhubaneswar, India, where she specialized in organometallic chemistry and homogeneous catalysis. Her master’s thesis presented a novel approach to synthesizing hydroxyl-functionalized γ-butyrolactones using a Ruthenium catalyst. Currently, Priyanka is a first-year Ph.D. student at UTD, conducting research with the Delaney group and Sterling group. Her
work focuses on exploring reaction intermediates and pathways through experimental investigations, contributing to a deeper understanding of catalytic mechanisms. Outside of her research, Priyanka enjoys baking, traveling, and listening to music.
Visiting students & rotation students
Markus Weiß
Markus completed his undergraduate studies in Chemistry at RWTH Aachen University, where his bachelor’s thesis focused on using probability density analysis within quantum Monte Carlo to investigate chemical bonding and aromaticity. He continued his master’s studies at RWTH Aachen, during which he completed a project at UC Berkeley, applying ALMO-EDA to explore bonding in alkaline earth fluoride systems. Currently, Markus is visiting as part of his master’s studies, where he is investigating non-covalent interactions and their applications in catalysis.
Honorary group members
Nellie
Nellie completed her training at Operation Kindness, where her first year project involved learning how to be a cat. She joined the group in October 2024, and is now working on climbing up curtains and jumping off high places. In her spare time, Nellie enjoys bird-watching and escaping.