Liping Yu

Postdoctoral Researcher

Photo of Liping Yu
(303) 384-6455
At NREL Since: 

Dr. Yu joined NREL in August 2009 as a postdoctoral researcher in the Solid State Theory Team. He received his Ph.D. in physics from North Carolina State University in 2009 under the supervision of Dr. Jerry Bernholc. His research in computational materials science focuses on first principles (DFT) studies of defect, electronic, optical, and dielectric properties of real materials. Currently he works on the computational design and theoretical modeling of renewable energy materials for the Center of Inverse Design, a DOE Energy Frontier Research Center (EFRC).

Research Interests 

  • High-throughput calculations
  • Solar photovoltaic and solid state lighting
  • Defect properties of semiconductors
  • Energy storage materials
  • Physics and chemistry at interfaces and surfaces

Selected Publications 

  1. Ranjan, V.; Yu, L.; Nakhmanson, S.; Bernholc, J.; Buongiorno Nardelli, M. (2010). "Polarization effects and phase equilibria in high-energy-density polyvinylidene-fluoride-based polymers." Acta Crystallography A Found Crystallography (66); p. 553.
  2. Yu, L.; Ranjan, V.; Buongiorno Nardelli, M.; Bernholc, J. (2009). "First-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces." Phys. Rev. B. (80); p. 165432.
  3. Yu, L.; Ranjan, V.; Lu, W.; Bernholc, J.; Buongiorno Nardelli, M. (2008). "Equivalence of dipole correction and Coulomb cutoff technique in supercell calculations." Phys. Rev. B. (77); p. 245102.
  4. Ranjan, V.; Yu, L.; M. Buongiorno Nardelli, M.; Bernholc, J. (2007). "Phase equilibria in high energy density PVDF-Based polymers." Phys. Rev. Lett. (99); p. 47801.