Ruoshi Sun, PhD

Ruoshi Sun, PhD

Computational Scientist

Ruoshi is experienced in electronic structure codes for computational materials science. He takes part in managing the Rivanna software stack, building Singularity/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)