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The Materials and Processes Simulation Lab operates at the forefront of research on low dimensional and biological systems, with a focus on photochemistry and photophysics at the nanoscale. The group develops multiscale computational methods to understand how light interacts with complex materials and molecular environments. Its work spans low dimensional nanomaterials, including graphene based structures and 2D heterojunctions, as well as photoactive molecules embedded in biological systems such as lipid membranes and proteins. A central goal is to uncover the mechanisms that govern charge and energy transfer in nanoscale systems and to guide the design of materials for applications in photocatalysis, solar fuel production, and optoelectronics. The lab combines theory, simulation, and close collaborationm with experimental groups to connect molecular level insight with measurable properties. Through this approach, it advances the understanding and design of functional materials that convert light into chemical and electronic activity.