Hacking the Electronic Wave Function via Semiempirical Hamiltonians

Vitaly Chaban is a world-renowned chemist primarily referenced in physical chemistry and in-silico molecular design. Prof. Chaban published over two hundred research works, including several monographs and textbooks. His scientific publications explored complicated chemical systems employing mathematical instruments and interpreted in-lab experiments. Prof. Chaban uses electronic-structure calculations, reactive and non-reactive molecular dynamics simulations, potential energy surface navigation, non-adiabatic molecular dynamics, and their combinations to tackle real-world problems in physics, chemistry, and sporadically molecular biology. Prof. Chaban strives to develop ad hoc methods that help describe sophisticated molecular systems, enhance phase space sampling, inexpensively predict physical and chemical properties, reparameterize existing Hamiltonians, and guide task-specific materials design with hopefully valuable implications. In 2022-2025, Vitaly Chaban is proud to serve as a visiting international professor at the University of Yerevan, Armenia, where he mentors physicochemical research endeavors and delivers sporadic lectures on hot topics of modern computational chemistry.