معرفی
Lena Simine is an Associate Professor in the Department of Chemistry at McGill University, affiliated with the Faculty of Science. She holds a B.Sc. (2009) and Ph.D. (2015) from the University of Toronto, followed by a postdoctoral fellowship at Rice University (2015–2019). Her laboratory is located in P&P 118A, focusing on developing computational approaches for modeling molecular phenomena in theoretical chemistry and chemical physics.
Her research interests center on computational materials design, quantum dynamics, and the application of machine learning to chemistry. Specific areas include simulating amorphous materials, aptamer design, and quantum systems modeling. She teaches CHEM 365 (Statistical Thermodynamics) and CHEM 593 (Statistical Mechanics and Machine Learning for Chemistry).
Her work explores interdisciplinary frontiers, such as path-integral simulations, GFlowNets for molecular design, and the physical principles underlying deep learning in materials science. Recent studies highlight innovations like DeltaGzip for binding affinity prediction and the MAP protocol for 3D disordered matter simulations.
Her lab’s contributions span computational methods, material innovation, and quantum phenomena, with a focus on advancing both theoretical frameworks and practical applications in chemistry and materials science.
