Molecular Physics Simulation Group

We harness state-of-the-art computer simulations to engineer innovative devices that address scientific and industrial challenges.

Development of Innovative Simulation Methods

We aim to innovate computer simulation techniques for all scales of physics, including quantum, atomistic, and continuum. Our current interests include machine-learning molecular dynamics and extended/generalized Lattice-Boltzmann methods. However, we are open to seeking any novel ideas to innovate simulation approaches.

Molecular Biomimetic Engineering

Biological systems exhibit remarkable efficiency and sustainability in their essential processes, such as intelligence, energy conversion, learning, and molecular separation. Our research seeks to understand and implement the molecular–quantum principles of these living systems in engineered devices.

Foundational Physical/Chemical Theory

Developing a foundational theory for atomistic physics has long been a dream in Science and Engineering. By leveraging cutting-edge atomistic simulations, we aim to establish an advanced theoretical framework for atomistic phenomena, including nanoscale thermal–fluid transport and beyond.

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