Maria Harris Rasmussenمشاهده پروفایل
پژوهشگر ارشد
Maria Harris Rasmussen is a Postdoctoral Researcher in the Department of Chemistry at the University of Copenhagen, where she conducts cutting-edge research at the intersection of computational chemistry, cheminformatics, and artificial intelligence. Her work focuses on developing and applying computational methodologies to solve complex chemical problems, with particular emphasis on reaction discovery, molecular representation, and catalyst design. Her research interests span multiple domains of computational chemistry, with primary focus on Cheminformatics where she develops algorithms for molecular representation including SMILES notation for transition metal complexes. In Quantum Chemistry , she investigates photoinduced electron transfer processes and reaction mechanisms using advanced simulation techniques. Her work in Machine Learning for Chemistry includes developing explainable AI methods for molecular property prediction and uncertainty quantification in chemical data sets. She also contributes significantly to Catalysis Research through computational approaches for de novo catalyst discovery and reaction screening. Analysis of her publication record reveals strong trends in developing computational tools that bridge theoretical chemistry with practical applications. Her recent work shows increasing integration of machine learning with traditional quantum chemical methods, particularly in the areas of reaction space exploration and catalyst discovery. The interdisciplinary nature of her research connects chemistry with computer science, physics, and data science, reflecting the evolving landscape of modern computational chemistry. Maria maintains active research collaborations with prominent scientists including Jensen J.H., Mikkelsen K.V., and several international researchers as evidenced by her publication record. Her computational methodologies have gained attention across academic and research communities, with multiple publications receiving significant readership on platforms like Mendeley and social media engagement.
