“一往情深深几许,深山夕照深秋雨。” 纳兰性德《蝶恋花·出塞》
Research
Quantum, non-equibrium, non-linearity, disorder --> novel materials and/or structures --> energy, environment
“一往情深深几许,深山夕照深秋雨。” 纳兰性德《蝶恋花·出塞》
Quantum, non-equibrium, non-linearity, disorder --> novel materials and/or structures --> energy, environment
It is of peculiar interest when things escape out of the box. I'm particularly interested in the electron and phonon transport when symmetry is broken, when order is destroyed, when dimension reduces below 3D, when scale shrinks to quantum size ...
1.1. Extending fundamental solid-state theories
1.2. Application to thermoelectrics
1.3. Application to photovoltaic materials
1.4. Application to organic matter (e.g., natural carbonaceous material)
In the past, we contribute to both the fundamentals and practicality of computational science, broadly for non-trivial transport phenomena, discovering and optimizing, in solids and fluids.
2.1 Machine learning and big data for materials discovery
2.2 Artificial intelligence for manufacturing and synthesis and inverse molecular design
2.3 Uncertainty quantification of various computational approaches, such as MD and DFT
2.4. Development of computational schemes / packages for both fluids and solids
Another demon out of the box is nonequilibirum, such as in rarefied ambient, or miniaturized microfluidics, or ultrafast processes.
The following is to come when I have preliminary results: