Alexandrov Research Group

Alexandra Zagalskaya

PhD Student

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I joined Alexandrov Research Group as a PhD student in 2018, after completing my M.S. (with distinction) at the Department of Theoretical Physics and Quantum Technologies at NUST MISiS, Russia. During my PhD program I had a great opportunity to participate in various workshops and internships for my career development, such as Paris International School on Advanced Computational Materials, Telluride School on Theoretical Chemistry, Preparing Future Faculty (PFF) program, Computational Chemistry and Materials Science Summer Institute at Lawrence Livermore National Laboratory, Quantum Multiscale School on Quantum ESPRESSO, and NSF funded 5-month internship at Lawrence Livermore National Laboratory. I obtained PhD in Materials Engineering in August, 2022. My dissertation thesis focuses on developing a better fundamental understanding of structure-activity-stability relationship in water splitting electrocatalysts using ab initio simulations. Currently, I am a postdoctoral researcher at Quantum Simulation Group in Lawrence Livermore National Laboratory, collaborating with Alexandrov Research Group on implementation and application of theoretical/modeling approaches to investigate the properties of electrochemical interfaces.

Alexandra Zagalskaya's papers