Welcome

Our research group is interested in the discovery, design, and characterization of new soft functional materials through computational chemistry. To this aim, our team develops and applies molecular simulations to study the intricate interactions and dynamics of molecules, materials, and chemical processes through automated frameworks. By leveraging the power of high-performance computing, we seek insights into the behavior at the molecular level. 

As a computational chemistry group, we are dedicated to not only advancing the field but also addressing real-world challenges such as the design of organic crystals with tailored properties, sustainable polymers, post-lithium-ion batteries, and more. We look forward to welcoming new talents, ideas, and collaborations.