The Frontiers in Molecular Sensing, DFT, and Computational Chemistry Group is a dynamic research team dedicated to exploring the fundamental principles that govern molecular interactions and reactivity. Our work integrates density functional theory (DFT), advanced computational chemistry, and molecular modeling to investigate the structural, electronic, and dynamic properties of molecules and materials. A key focus of the group is molecular sensing, where we design and study novel sensing platforms with applications in biomedicine, catalysis, materials development, and environmental monitoring. By bridging theory and experiment, we strive to deliver predictive insights, innovative solutions, and transformative approaches to address pressing scientific and technological challenges. Through interdisciplinary collaboration, the group is committed to pushing the boundaries of computational chemistry and fostering advancements at the interface of molecular science and applied technology.
To become a leading international hub of innovation in molecular sensing, density functional theory (DFT), and computational chemistry, advancing knowledge at the interface of theoretical design and experimental validation. We envision pioneering breakthroughs that transform molecular-level understanding into impactful solutions for healthcare, energy, materials, and environmental sustainability.
