Oak Ridge National Laboratory, Metals and Ceramics Division, Postdoctoral Researcher, Oak Ridge, TN, 1993 ~ 1996
- Developed a linear scaling quantum mechanical simulation code to study electronic and magnetic structures of metals and alloys. this code became the first scientific application package that exceeds the teraflop performance and won the first place of 1998 Gordon Bell Prize for high performance computing and the Year 2000 Smithsonian Computerworld Program Award.
- Applied massively parallel supercomputing technology to alloy modeling and design.
- "Elastic and thermal properties of refractory high-entropy alloys from first-principles calculations," Huijuan Ge, Fuyang Tian, Yang Wang, Computational Materials Science 128, 185 (2017)
- "Impact of aluminum doping on the thermo-physical properties of refractory medium entropy alloys," Fuyang Tian, Yang Wang, and Levente Vitos, Journal of Applied Physics 121, 015105 (2017)
- "Impact of Short-Range Forces on Defect Production from High-Energy Collisions," R. E. Stoller, A. Tamm, L. K. Béland, G. D. Samolyuk, G. M. Stocks, A. Caro, L. V. Slipchenko, Yu. N. Osetsky, A. Aabloo, M. Klintenberg, and Y. Wang, J. Chem. Theory Comput. 12, 2871 (2016)
- "An ab initio investigation of ideal tensile and shear strength of TiVNbMo high-entropy alloy," Fuyang Tiana, Dongping Wang, Jiang Shen, Yang Wang, Materials Letters 166, 271 (2016)
- "A full-potential approach to the relativistic single-site Green's function," Xianglin Liu, Yang Wang, Markus Eisenbach and G Malcolm Stocks, J. Phys.: Condens. Matter 28, 355501 (2016)