Today, Xiangwen and Jiahui, presented their cutting-edge work on molecular modeling, theoretical catalysis, and machine learning for designing biocatalysts in biosynthesis.

Our team is dedicated to advancing the biocatalyst design and exploring innovative approaches to molecular modeling and catalysis theory. By leveraging machine learning, we're pushing the boundaries of biocatalyst design, promising transformative applications in biosynthesis.

The NIHPC User Conference 2023 provided a fantastic platform for networking and collaboration. Xiangwen and Jiahui had the incredible opportunity to connect with fellow researchers, especially those utilizing the powerful Kelvin 2 high-performance computing resources. Sharing experiences and insights with other Kelvin 2 users has been invaluable for our team.

Our experience using HPC resources has played a pivotal role in our research journey. The conference allowed us to delve into discussions about the challenges and triumphs of harnessing high-performance computing for molecular simulations, theoretical studies, and machine-learning applications in catalysis.