Efthimios Kaxiras

Efthimios Kaxiras is the John Hasbrouck Van Vleck Professor of Pure and Applied Physics at Harvard University, affiliated with the Harvard John A. Paulson School of Engineering and Applied Sciences (SEAS) and the Harvard University Center for the Environment. His research focuses on computational physics and materials theory, with a particular emphasis on twisted 2D materials (twistronics), machine learning applications in materials science, and electronic structure engineering. He leads the Computational Physics and Materials Theory Group, which develops theoretical models and computational tools spanning atomistic to continuum scales.

Research areas include moiré materials, quantum engineering, and the physics of layered van der Waals solids. Notable contributions include pioneering work on twisted bilayer graphene’s correlated electron behavior and superconductivity. The group employs machine learning for materials discovery and explores phenomena like moiré phonons and topological defects in 2D heterostructures.

Publications highlight advancements in moiré band engineering, plasmonics, and ferroelectricity in van der Waals magnets. The lab collaborates on projects such as defect lattices and quantum dynamics in kagome metals. His work bridges theoretical physics with practical applications in electronics and energy materials.

Prof. Kaxiras supervises graduate research through positions in computational physics and materials theory. The group’s GitHub repository hosts software tools for materials modeling. His academic contributions include a textbook on materials physics fundamentals and interdisciplinary studies at the interface of computation and experimental materials science.