Dr. Vitaliy R. Yurkiv
1130 N. Mountain Ave.
Tucson, AZ 85721
Office: AME N617
Vitaliy Yurkiv is an Assistant Professor in Aerospace and Mechanical Engineering at the University of Arizona and Principal Investigator of the ESC Lab.
His research connects first-principles computation, multiphysics modeling, machine learning, and electrochemical experiments to understand the fundamental processes that control energy-storage and energy-conversion technologies. Current themes include battery interfaces and degradation, thermal safety, high-entropy cathode materials, and computation-enabled materials discovery.
Before joining the University of Arizona, Dr. Yurkiv was a research professor at the University of Illinois Chicago. He previously worked at the German Aerospace Center and the University of Stuttgart after earning his Ph.D. at Heidelberg University’s Interdisciplinary Center for Scientific Computing. He received his M.S. and B.S. degrees from Ivan Franko National University of Lviv.
Recognition & funded research
Honors and selected awards
University recognition and federal support advance the lab’s work from atomic-scale materials discovery to safer commercial-format batteries.
University recognition · 2026
Early Career Innovation & Entrepreneurship Award
University-wide recognition for translating research into public impact through innovation, commercialization, and entrepreneurial engagement.
DoD DEPSCoR · 2024–2027
Machine Learning-Assisted Forecasting of Thermal Events in Rechargeable Batteries
Principal investigator with Todd A. Kingston on a $599,808 program advancing early prediction and prevention of battery thermal runaway. Award FA9550-24-1-0164.
NSF · 2026–2029
Generative Modeling of Atomic Disorder in High-Entropy Oxide Materials
Principal-investigator project developing Transformer-based generative models to connect atomic disorder with structure and function in high-entropy oxide materials.
Additional NSF-supported projects in AI-enabled microscopy, electrochemical interfaces, lithium dendrites, and advanced coating processes are listed in the Awards panel below.
Degrees
- Ph.D.
- M.S., B.S.
Work Experience
- University of Arizona (2022–present); University of Illinois Chicago (2015–2022); German Aerospace Center (2011–2015)
Awards
- 2026 University Early Career Innovation & Entrepreneurship Award — University of Arizona
- 2024 DoD DEPSCoR — Machine Learning-Assisted Forecasting of Thermal Events in Rechargeable Batteries; PI with Todd A. Kingston (FA9550-24-1-0164; 2024–2027)
- NSF Award 2602117 — CDS&E: Generative Modeling of Atomic Disorder in High-Entropy Oxide Materials; PI (2026–2029)
- NSF Awards 2055442 and 2311104 — CDS&E: A Deep Learning Framework for Evaluation of Electron Microscopy Images of Chemically-Complex Metallic Materials; PI (2021–2026)
- NSF Awards 1906497 and 2312197 — GOALI: Controlled Coating via Charged Droplet Impact and Deposition on Dielectric and Conducting Surfaces; co-PI (2019–2024)
- NSF Awards 1805938 and 2313395 — Fundamental Understanding of SEI Effects on Li Dendrite Formation and Growth; co-PI (2018–2024)
- NSF Award 1620901 — Fundamental Understanding on the Role of Structural Defects on Lithiation of Nanoscale Transition Metal Oxides; co-PI
Research Interests
Electrochemical energy storage; battery interfaces and degradation; high-entropy cathode materials; density functional theory; multiphysics simulation; machine learning; thermal safety; energy storage for electrified transportation.