Lead Scientist, Scientific Computing
Ruoshi is experienced in electronic structure codes for computational materials science. He takes part in managing the HPC software stacks, 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
- K Esfarjani, H Stokes, SN Sadeghi, Y Liang, B Timalsina, H Meng, J Shiomi, B Liao, and R Sun, “ALATDYN: A set of Anharmonic LATtice DYNamics codes to compute thermodynamic and thermal transport properties of crystalline solids,” Computer Physics Communications 312, 109575 (2025). doi:10.1016/j.cpc.2025.109575
- R Sun and K Siller, “HPC Container Management at the University of Virginia,” PEARC ‘24: Practice and Experience in Advanced Research Computing 2024: Human Powered Computing 73, 1 (2024). doi:10.1145/3626203.3670568
- 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.
Education
