Ruoshi Sun

Contact

Email: <first name>@alum.mit.edu

UVA Research Computing

560 Ray C. Hunt Drive

Charlottesville, VA 22903

When Schrödinger acts on me

Experience

Computational Scientist, University of Virginia, Oct 2019 - present
Senior Research Associate, Brown University, Aug 2018 - Oct 2019
Postdoctoral Research Associate, Brown University, August 2013 - July 2018

Education

Ph.D. Materials Science and Engineering, Massachusetts Institute of Technology, 2013

Thesis: Photovoltaic properties and size-pH phase stability of iron disulfide from density-functional theory

Advisor: Gerbrand Ceder

Minor: Music

B.S. Materials Science and Engineering, University of Illinois at Urbana-Champaign, 2008

Thesis: First-principles design maps for predicting anomalous ductility in B2 materials

Advisor: Duane D. Johnson

B.S. Mathematics, University of Illinois at Urbana-Champaign, 2008

Publications

CC: open access (download at journal website)

PDF: click to download

15. First-principles study of the effect of Al and Hf impurities on Co3W antiphase boundary energies

Chiraag Nataraj, Ruoshi Sun, Christopher Woodward, and Axel van de Walle

Acta Materialia, published online (2021)

14. First-principles thermal compatibility between Ru-based Re-substitute alloys and Ir coatings

Ruoshi Sun, Mark Asta, and A. van de Walle

Computational Materials Science 170, 109199 (2019)

13. Elegy

Ruoshi Sun

The Mathematical Intelligencer 41, 78 (2019)

12. First-principles study on Ni3Al (111) antiphase boundary with Ti and Hf impurities

Ruoshi Sun, Christopher Woodward, and Axel van de Walle

Physical Review B 95, 21412 (2017)

11. Software tools for high-throughput CALPHAD from first-principles data

Axel van de Walle, Ruoshi Sun, Qi-Jun Hong, and Sara Kadkhodaei

Calphad 58, 70 (2017)

10. An epicycle method for elasticity limit calculations

Axel van de Walle, Sara Kadkhodaei, Ruoshi Sun, and Qi-Jun Hong

Physical Review B 95, 113 (2017)

9. Automating impurity-enhanced antiphase boundary energy calculations from ab initio Monte Carlo

R. Sun and A. van de Walle

Calphad 53, 20 (2016)

8. The free energy of mechanically unstable phases

A. van de Walle, Q. Hong, S. Kadkhodaei, and R. Sun

Nature Communications 6, 7559 (2015)

7. Low intensity conduction states in FeS2: Implications for absorption, open-circuit voltage and surface recombination

P. Lazic, R. Armiento, F. W. Herbert, R. Chakraborty, R. Sun, M. K. Y. Chan, K. Hartman, T. Buonassisi, B. Yildiz, and G. Ceder

Journal of Physics: Condensed Matter 25, 465801 (2013)

6. Stability maps to predict anomalous ductility in B2 materials

Ruoshi Sun and D. D. Johnson

Physical Review B 87, 104107 (2013)

*Editors' Suggestion*

5. Feasibility of band gap engineering of pyrite FeS2

Ruoshi Sun and Gerbrand Ceder

Physical Review B 84, 245211 (2011)

4. Intrinsic stoichiometry and oxygen-induced p-type conductivity of pyrite FeS2

Ruoshi Sun, M. K. Y. Chan, ShinYoung Kang, and G. Ceder

Physical Review B 84, 035212 (2011)

3. First-principles electronic structure and relative stability of pyrite and marcasite: Implications for photovoltaic performance

Ruoshi Sun, M. K. Y. Chan, and G. Ceder

Physical Review B 83, 235311 (2011)

2. Coordination-dependent surface atomic contraction in nanocrystals revealed by coherent diffraction

W. J. Huang, R. Sun, J. Tao, L. D. Menard, R. G. Nuzzo, and J. M. Zuo

Nature Materials 7, 308 (2008)

1. Towards sub-Å atomic resolution electron diffraction imaging of metallic nanoclusters: A simulation study of experimental parameters and reconstruction algorithms

W. J. Huang, B. Jiang, R. S. Sun, and J. M. Zuo

Ultramicroscopy 107, 1159 (2007)

Awards

Massachusetts Institute of Technology

Eni MIT Energy Fellowship, 2010-11
Emerson Music Scholarship for piano performance, 2010-11
Robert M. Rose Presidential Fellowship, 2008-09

University of Illinois at Urbana-Champaign

Bronze Tablet (top 3% of graduating class), 2008
Most Outstanding Undergraduate Major Award in Mathematics, 2008

American Go Association

1st prize, Open division, 9th Virginia Open, December 2020
3rd prize, 4 dan division, US Open, 32nd US Go Congress, August 2016
1st prize, 1-4 dan division, Boston Spring Open, March 2016
3rd prize, upper dan division, Boston Spring Open, March 2015
2nd prize, 1-3 dan division, 4th Boston Go Open, August 2011
1st prize, 1-4 dan division, New England Open Go Tournament, March 2011

Academic Ancestry

Walter S. Owen (1920 - 2007)

The carbide constituent in iron-carbon-silicon and related alloys

Liverpool University (1950)

↓

John E. Hilliard (1926 - 1986)

A study of the liquidus-solidus region of the iron-carbon-silicon system

Liverpool University (1950)

↓

Didier de Fontaine (1931 - )

A computer simulation of the evolution of coherent composition variations in solid solutions

Northwestern University (1967)

↓

Gerbrand Ceder

Alloy theory and its applications to long period superstructure ordering in metallic alloys and high temperature superconductors

University of California, Berkeley (1991)

↓

Ruoshi Sun

Photovoltaic properties and size-pH phase stability of iron disulfide from density-functional theory

Massachusetts Institute of Technology (2013)

Music

I enjoy playing the piano, especially the works of J. S. Bach. Some of my compositions and arrangements can be found on my YouTube channel and IMSLP.

Go

The ancient board game weiqi was popularized to the western world by Japan, which is why historical Japanese players and Japanese terminology are very well-known to western players. To fill the vacuum in the English go literature on ancient Chinese go, I translated and self-published 7 classical Chinese go books. Follow me on my Amazon author page.