Computational Modeling and Simulations

My research is dedicated to leveraging computational methods to address complex challenges across various scientific disciplines. By utilizing advanced modeling techniques, simulations, and data-driven approaches, I aim to uncover insights that are otherwise difficult to obtain through traditional experimental methods. Through these efforts, I strive to make significant contributions to the advancement of knowledge and the development of innovative solutions for real-world problems.

Environment

• AlphaFold 3 for Per- and Polyfluoroalkyl Substances (2025.1-Now)

Materials Science

• Investigations on the synergistic mechanism of graphene and MoS2 for hydrogen generation (2013.9-2014.7)

Biology

• Accelerating molecular dynamics simulation models using Graphics Processing Units (2018.1-2023.7)
• Development of an accurate force field for molecular dynamics simulations (2022-Now)

Chemistry

• Accelerating a quantum chemistry VBSCF method using a Cholesky decomposition technique (2014.9-2017.7)

Food Science

• Investigations on how an alkali-acid treatment alter the structures of plant-derived components (2023.10-2024.12)