Eduarda Sangiogo Gil is a researcher at the University of Vienna's Faculty of Chemistry, Department of Theoretical Chemistry. Her work focuses on nonadiabatic dynamics, quantum algorithms, and computational methods for simulating photochemical processes. She has developed software tools like EXASH for exciton-based surface hopping dynamics and contributed to packages such as Newton-X and MOPAC-PI. Her research integrates quantum-classical hybrid algorithms, semiempirical methods, and advanced trajectory-based simulations. Teaching: Courses on Chemical Dynamics Simulation, Computational Methods, and Journal Club at University of Vienna (2024). Collaborations: Active in international projects involving quantum computing for dynamics and exciton models in materials. Key research areas include extending exciton models beyond Frenkel theory, incorporating quantum algorithms into surface hopping approaches, and benchmarking molecular dynamics methods. Recent work explores azo-escitalopram photoisomerization and methanimine dynamics on quantum computers. Her software contributions enable efficient simulations of multichromophoric systems and nonadiabatic processes, with applications in drug design and material science.





