The Theoretical and Computational Chemistry Laboratory utilizes molecular dynamics (MD) simulations to investigate the physical properties of molecular assemblies in biomaterials and other complex materials. Many everyday phenomena arise from molecular interactions, and MD simulations provide a powerful means to analyze these processes at the molecular level by reproducing realistic systems computationally. We are actively exploring phenomena related to proteins, viruses, and polymeric materials by combining simulation techniques with high-performance computing resources, including the supercomputer \u201cFugaku.\u201d Our research is driven by innovation, and we are developing original methodologies and software tools to advance our scientific goals.<\/p>\n\n\n\n
The Theoretical and Computational Chemistry Laboratory is a newly established lab, launched in April 2023. We are currently seeking motivated individuals to join us in building the lab from the ground up.We understand that, even after reading our website or research summaries, it can be difficult to imagine what the actual research involves. You might wonder, “Can I really do this if I\u2019ve never programmed before?” or “Isn\u2019t the theory too complicated for me?” These are common concerns, and it’s perfectly natural to feel uncertain.However, it’s important to remember that research is, by nature, a journey into the unknown. It requires creativity, persistence, and a willingness to take on challenges that no one has solved before. Whether you can<\/em> or can\u2019t<\/em> do something right now isn\u2019t the key question. What truly matters is your curiosity and your drive to discover something new.If our research piques your interest, we warmly encourage you to visit our lab and learn more.<\/p>\n\n\n\nWhat’s New<\/h1>\n\n\n