The Frontiers in Molecular Sensing, DFT, and Computational Chemistry Research Group is a forward-thinking team committed to unraveling the core principles that dictate molecular behavior, interactions, and reactivity. Our research leverages the power of density functional theory (DFT), state of the art computational chemistry techniques, and molecular modeling to gain a deep understanding of the structural, electronic, and dynamic properties of molecules and advanced materials.
A central pillar of our work is molecular sensing, where we design, optimize, and evaluate next-generation sensing platforms capable of detecting chemical and biological targets with high precision. These systems hold broad potential across biomedical diagnostics, catalytic process monitoring, materials innovation, and environmental surveillance.
By seamlessly integrating theoretical simulations with experimental collaboration, we aim to generate predictive insights, validate structure–property relationships, and develop rational design strategies that accelerate real-world solutions. Our group operates at the intersection of fundamental science and technological application, driving innovation through interdisciplinary partnerships and knowledge exchange.
Ultimately, we are dedicated to pushing the boundaries of computational chemistry, transforming molecular understanding into practical tools and transformative technologies that address today’s most pressing scientific challenges.
Our mission is to become a leading global center for innovation in molecular sensing, density functional theory (DFT), and computational chemistry. By uniting theoretical modeling, computational design, and experimental validation, we turn ideas into real-world outcomes. We strive to achieve breakthroughs that deepen molecular understanding and enable practical solutions to global challenges from healthcare and sustainable energy to advanced materials and environmental protection.
Through collaboration, talent development, and cutting-edge tools, we aim to drive both fundamental discovery and transformative innovation for a healthier, more sustainable, and technologically advanced future.
