Research Interests:
- isotope effects prediction
- vapor pressure isotope effects
- non-covalent interactions
- path integral simulations
Professional Experience:
2020: Ph.D. in Chemistry: Faculty of Chemistry, Lodz University of Technology, Poland: Insight into Vapor Pressure Isotope Effects by Quantum Chemistry Methods, Supervisor: Dr. Agnieszka Dybala-Defratyka
2016-2020: Graduate Student, Faculty of Chemistry, Lodz University of Technology
Selected Publications:
L. Vasquez, M. Rostkowski, F. Gelman, A. Dybala-Defratyka, Can PIMD Make a Good Approximation for Vapor Pressure Isotope Effects Prediction for Organic Solvents? A Comparison to ONIOM QM/MM and QM Cluster Calculation, J. Phys. Chem. B, 122 (2018) 7353, DOI: 10.1021/acs.jpcb.8b03444