Nominator's project description
| Dr. Zhang's main research interest is Computational Materials Science with particular focus on: (1) the energetics, kinetics, and dynamics of materials nucleation and growth; (2) nano- and micro-structures and related properties of systems in materials science, surface science, and chemistry; and (3) the development of related methodologies and theories. His modeling and simulations aim to rationalize and predict novel structures and properties of materials. In each research field he has an excellent record and has produced an impressive output, as evidenced by his publication of over 110 papers in internationally refereed journals (including Science, Physical Review Letters, Advanced Materials, Applied Physics Letters). Since 1996, Dr. Zhang has been a regular reviewer for over 10 technical journals. Dr. Zhang has developed a new theory for solving many-body systems, a scheme to use an economic basis set for the computation of large systems, and molecular dynamics simulation tools. In nanostructuring functional materials through computation, he has revealed the mechanism of oxide-assisted nucleation and the growth of silicon nanostructures, the stabilities of silicon nanostructures, and the transport properties of one-dimensional nanomaterials. He has theoretically studied metal-organic interaction in organic light-emitting devices and has proposed a theory of the charge-transport properties of organic molecules used in organic light-emitting devices. He has substantial experience in the modeling and simulation of deposition and microstructures of diamond and related materials, and has proposed models for diamond nucleation by energetic species, diamond nucleation and growth on silicon surfaces, nucleation and growth of boron nitride materials, and vapor-solid interaction in C3N4 synthesis. |
