Associate Professor
B.Sc. (University of Toronto, 2009)
Ph.D. (University of Toronto, 2015)
Postdoctoral fellow (Rice University, 2015-2019)
Office: PP 118
Phone: (514)398-1317
Email: Lena.Simine [at] McGill.CA
Lab: P&P 118A
Lab Phone: (514)398-6254
Research Themes:
- Theoretical Chemistry
- Chemical Physics
Research Description:
We are broadly interested in developing computational approaches for modelling of intriguing molecular phenomena. Please see our website or get in touch for more details.
Currently Teaching:
CHEM 365. Statistical Thermodynamics.
Credits: 2
Offered by: Chemistry (Faculty of Science)
Terms offered: Winter 2026
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Winter 2026 in Visual Schedule Builder.
Description
Molecular basis of thermodynamics with applications to ideal gases and simple solids. Topics to be covered will include: calculation of thermodynamic functions, chemical equilibrium constants, Einstein and Debye models of solids, absolute reaction rate theory, Debye-Hückel theory of strong electrolytes.
- Winter
- Prerequisite: CHEM 345
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CHEM 593. Statistical Mechanics and Machine Learning for Chemistry.
Credits: 3
Offered by: Chemistry (Faculty of Science)
Terms offered: Winter 2026
View offerings for
Winter 2026 in Visual Schedule Builder.
Description
Intermediate topics in statistical mechanics and related machine learning: ensemble theory, critical phenomena, static and time-dependent phenomena, linear response and fluctuations, Monte Carlo and molecular dynamics simulation methods, data driven simulation methods: MaxEnt modeling, generative machine learning, active learning.
- Winter
- Term paper
- Recommended: CHEM 345 and CHEM 365
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