Overview

My research interest is generally using and developing advanced computational methods to address some fundamental problems in various scientific disciplines, including the chemistry, biology, materials, and food science.

Materials Science and Engineering

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

Chemistry

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

Food Science and Technology

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