Department of material modeling - atomic order mechanisms


Thermal transport plays increasing important role in modern technology renovation and engineering. For example, almost all of energy generation and conversion rely on thermodynamic process, even when the system size goes down to micro/nano-meter scale. Our research interests are focused on employing high performance simulations to tackle micro/nano-scale thermal transport problems. From microscopic point of view, we believe successful atomistic simulation will not only advance our understanding of the underlying mechanism and physics of energy transport in materials and structures, but also provide an effective and robust technique for development, design, and fabrication of new energy materials.

The most important research topics are:

  • Micro-/Nano-scale heat transfer for energy conversion
  • High-throughput computational design of energy materials
  • Near-junction heat transfer for advanced thermal management
  • Development of new computational algoithms/schemes for micro-/nano-scale heat transfer
  • Thermal transport across metal/semiconductor interfaces

The professoship of the department of material modeling - atomic order mechanisms is currenty vacant.