Marios Zacharias is a post-doctoral researcher at the Cyprus University of Technology working in the "Research Unit of Nanostructured Materials" of Prof. P. C. Kelires. He was ranked the best M.Sci. student in the 2013 Physics cohort at the University College London (UCL), United Kingdom. He earned his Ph.D. in Materials Science at Oxford University, United Kingdom (2017) and held a post-doctoral appointment at Oxford University (2018), under the supervision of Prof. F. Giustino. He also held a post-doctoral position at the NOMAD laboratory of Prof. M. Scheffler at Fritz Haber Institute of the Max Planck Society in Berlin (2019). He was a recipient of several awards, including the Cyprus State Scholarships Foundation Award, EPSRC Doctoral Training Award (Oxford University),

Academic Excellence Award (Trinity College of Oxford University), and MPG Research Grant Award (Max Planck Society).

His research interests focus on electronic structure theory, high-performance computing, and the development of new first-principles techniques that rely on quantum mechanics to describe materials' properties. He has developed the "special displacement method (SDM)" and "statistically anharmonic, higher-order vibronic coupling (stAVIC)" approaches for electronic structure calculations at finite temperatures, enabling accurate and efficient description of electron-phonon and vibronic interactions in quantum materials. He is one of the developers of the software project EPW/ZG