Juan Maria García LastraView profile
Professor
Juan Maria García Lastra is a Professor and Head of the Atomic Scale Materials Modelling group in the Department of Energy Conversion and Storage at the Technical University of Denmark (DTU). His research focuses on theoretical studies of solid-state and molecular materials using advanced computational methodologies such as Density Functional Theory (DFT), Many-Body Perturbation Theory (MBPT), and Non-Equilibrium Green’s Functions (NEGF). Education: Ph.D. from the University of Cantabria (Spain), specializing in DFT developments. Postdoctoral research focused on energy-related materials including photovoltaic systems and battery technologies. Research interests include: Lithium-ion batteries, metal-air batteries, organic photovoltaics, heterogeneous catalysis, and electronic/thermal transport in nanomaterials like carbon nanotubes and graphene. His work contributes to UN Sustainable Development Goals through energy storage and conversion advancements. He supervises multiple PhD projects on topics like battery recycling strategies, computational design of energy materials, and machine learning applications in materials science. Collaborations span global institutions, with recent activities in sodium metal batteries, magnesium-sulfur battery electrolytes, and electrode design optimization. Labs/Groups: Leads the Atomic Scale Materials Modelling group at DTU Energy, focusing on computational methods for energy materials discovery and characterization.











