Relocating from Colorado with a prestigious APART-USA Fellowship from the Austrian Academy of Sciences, Dr. Popescu is establishing a research program at the cutting edge of photochemistry, computation, and Data Science. His work aims to identify general design principles that make synthetic processes faster and more sustainable, with a specific focus on developing new catalytic strategies. To achieve this, he utilises the full toolbox of modern chemistry, combining experimental synthesis with quantum chemical modelling and data-driven approaches.
A Symbiosis of Theory and Experiment
Mihai’s core philosophy is one of integration. While chemical research has traditionally been divided between experimentalists and theoreticians, he views himself as an interdisciplinarian who thrives in both spaces.
“I’ve always enjoyed both the experimental and the theoretical side of chemistry and see them as complementary worlds," he explains. "The goal is to integrate both into every research problem to improve understanding and accelerate discovery of photochemical reactions. We are using quantum mechanical modelling to understand what we see in the lab, and experimental data to build better models."
His primary focus is photochemistry, where light acts as a clean reagent to unlock chemical pathways that are often inaccessible through traditional thermal methods. By focusing on these elementary steps, his group aims to develop new catalytic strategies with practical applications in the pharmaceutical and fine chemical industries.
Data Science as a Compass for Discovery
A central pillar of his work is the use of Data Science and machine learning (ML). However, Mihai takes a balanced and cautious approach to these emerging technologies. Rather than seeing ML models as ‘black boxes’ that replace human intuition, he views them as a powerful tool to make reaction design more predictive.
By embedding mechanistic chemical features directly into model design, the group prioritises physics-informed models. This ensures that the models’ predictions are not just accurate, but also interpretable and grounded in fundamental chemical principles. A key aspect of his work is to make chemistry more predictable and to deepen chemical understanding by combining experiment, theory, and data.
From Oxford and Colorado to Vienna
Dr. Popescu’s academic journey is marked by excellence at world-leading institutions. After graduating at the top of his class at the University of Manchester, he completed his PhD at the University of Oxford, focusing on photochemical reaction mechanisms. He then moved to Colorado State University, where he spent several years as a Postdoctoral Fellow and Research Scientist in the group of Prof. Robert Paton, specialising in quantum chemical modelling and machine learning applied to organic chemistry.
He is now looking forward to establishing his independent group in Vienna. "Returning to Europe to start my own group is a significant milestone," says Popescu. "The Faculty of Chemistry, with its strong expertise in both experimental and theoretical chemistry, provides the perfect environment to further develop as a scientist working with an interdisciplinary approach."
- Website of the Popescu Research Group
- Nine US researchers join the University of Vienna (Press release University of Vienna, 04.11.2025)
