Ruoshi Sun, PhD

Ruoshi Sun, PhD

Lead Scientist, Scientific Computing

Ruoshi is experienced in electronic structure codes for computational materials science. He takes part in managing the Rivanna software stack, building Apptainer/Docker containers, and providing user support/research consultation.

He is a volunteer pianist at the University Hospital through the “Music for Healing” program.

Selected Publications
  • R Sun, M Asta, and A van de Walle, “First-principles thermal compatibility between Ru-based Re-substitute alloys and Ir coatings,” Computational Materials Science 170, 109199 (2019). doi:10.1016/j.commatsci.2019.109199
  • R Sun, C Woodward, and A van de Walle, “First-principles study on Ni3Al (111) antiphase boundary with Ti and Hf impurities,” Physical Review B 95, 21412 (2017). doi:10.1103/PhysRevB.95.214121
  • R Sun and DD Johnson, “Stability maps to predict anomalous ductility in B2 materials,” Physical Review B 87, 104107 (2013). doi:10.1103/PhysRevB.87.104107
  • R Sun, MKY Chan, and G Ceder, “First-principles electronic structure and relative stability of pyrite and marcasite: Implications for photovoltaic performance,” Physical Review B 83, 235311 (2011). doi:10.1103/PhysRevB.83.235311

See Google Scholar for a complete list.

  • Ph.D. Materials Science and Engineering
    Massachusetts Institute of Technology (2013)

  • B.S. Materials Science and Engineering
    B.S. Mathematics
    University of Illinois at Urbana-Champaign (2008)