Curriculum Vitae


Postdoctoral Experience

  • Vanderbilt University

    • May 2016 through July 2018
    • Advisor: Sokrates T. Pantelides
    • Project: Simulation of structure and spectroscopy observed in the scanning transmission electron microscope
  • German Research School for Simulation Sciences
    • June 2013 through April 2016
    • Advisor: Erik Koch
    • Project: The orbital ordering and Jahn-Teller transition in transition-metal fluoroperovskites

Teaching Experience

  • German Research School for Simulation Sciences

    • Winter Semester 2013-2014, 2014-2015, 2015-2016
    • Applied Quantum Mechanics, Instructor for recitation/tutorial session
  • Francis Marion University



  • National Science Foundation
    • Established Program to Stimulate Competitive Research (EPSCoR)
    • Research Infrastructure Initiative (RII) Track 4 Fellowship
    • $101,854
    • Awarded, January 2021 – January 2023


  • Francis Marion University
    • Ready to Experience Applied Learning (REAL)
      • Student trip to the Meeting of the Southeastern Section of the American Physical Society
      • $5,000
      • Awarded Fall 2019
    • Professional Experience and Knowledge (PEAK)
      • Funding for student researcher, Deep learning recognition of radiation-related defects in steel alloys
      • $5,000
      • Awarded Summer 2022
    • Information Technology
      • Funding for maintenance and expansion of departmental HPC cluster
      • $10,000
      • Awarded Spring 2020
    • Summer Research Stipend
      • Funding for summer research
      • $4,000
      • Awarded Summer 2019

Refereed Publications

27. J. Zhou, J. Lin, H. Sims, C. Jiang, C. Cong, J.A. Brehm, Z. Zhang, L. Niu, Y. Chen, Y. Zhou, Y. Wang, F. Liu, C. Zhu, T. Yu, K. Suenaga, R. Mishra, S.T. Pantelides, Z.‐G. Zhu, W. Gao, Z. Liu, W. Zhou, “Synthesis of Co-Doped MoS2 Monolayers with Enhanced Valley Splitting.” Advanced Materials 32, 1906536 (2020). 10.1002/adma.201906536

26. C.-T. Toh, H. Zhang, J. Lin, A.S. Mayorov, Y.-P. Wang, C. M. Orofeo, D. B. Ferry, H. Andersen, N. Kakenov, Z. Guo, I.H. Abidi, H. Sims, K. Suenaga, S.T. Pantelides, B. Özyilmaz, “Synthesis and properties of free-standing monolayer amorphous carbon.” Nature 577, 199-203 (2020). 10.1038/s41586-019-1871-2

25. H. Sims, D.N. Leonard, A.Y. Birenbaum, Z. Ge, T. Berlijn, L. Li, V.R. Cooper, M.F. Chisholm, S.T. Pantelides, “Intrinsic interfacial van der Waals monolayers and their effect on the high-temperature superconductor FeSe/SrTiO3.” Phys. Rev. B 100, 144103 (2019). 10.1103/PhysRevB.100.144103

24. B.M. Hudak, J. Song, H. Sims, M.C. Troparevsky, T.S. Humble, S.T. Pantelides, P.C. Snijders, and A.R. Lupini, “Directed Atom-by-Atom Assembly of Dopants in Silicon.” ACS Nano 12, 5873 (2018). 10.1021/acsnano.8b02001

23. J.A. Brehm, J. Lin, J. Zhou, H. Sims, Z. Liu, S.T. Pantelides, and K. Suenaga, “Electron beam-induced synthesis of hexagonal 1H-MoSe2 from square β-FeSe decorated with Mo adatoms.”  Nano letters 18 , 2016 (2018). 10.1021/acs.nanolett.7b05457

22. J. Song, B.M. Hudak, H. Sims, Y. Sharma, T.Z. Ward, S.T. Pantelides, A.R. Lupini, and P.C. Snijders, “Homo-endotaxial one-dimensional Si nanostructures.” Nanoscale 10, 260 (2018). 10.1039/C7NR06968E

21. B.S. Hollinsworth, H. Sims, J.G. Cherian, D. Mazumdar, N.C. Harms, B.C.L. Chapman, A. Gupta, S.A. McGill, and J.L. Musfeldt, “Magnetic field tunability of spin-polarized excitations in a high-temperature magnet.” Phys. Rev. B 96, 094427 (2017). 10.1103/PhysRevB.96.094427

20. H. Sims, E. Pavarini, and E. Koch, “Thermally assisted ordering in Mott Insulators.” Phys. Rev. B 96, 054107 (2017). 10.1103/PhysRevB.96.054107

19. M. Baumgaertel, K. Ghanem, A. Kiani, E. Koch, E. Pavarini, H. Sims, G. Zhang, “Massively parallel simulations of strong electronic correlations: Realistic Coulomb vertex and multiplet effects.” Eur. Phys. J. Spec. Top. 226, 2525 (2017). 10.1140/epjst/e2016-60311-8

18. K. Ramasamy, H. Sims, S. Keshavarz, N. Naghibolashrafi, and A. Gupta, “Nanocrystals of CuCr2S4xSex chalcospinels with tunable magnetic properties.” J. Mater. Chem. C 4, 3628 (2016). 10.1039/C5TC04448K

17. K. Ramasamy, R.K. Gupta, H. Sims, S. Palchoudhury, S.A. Ivanov, and A. Gupta, “Layered Ternary Sulfide CuSbS2 Nanoplates for Flexible Solid-State Supercapacitors.” J. Mater. Chem. A 3, 13263 (2015). 10.1039/c5ta03193a

16. K. Ramasamy, H. Sims, W.H. Butler, and A. Gupta, “Selective nanocrystal synthesis and calculated electronic structure of all four phases of copper-antimony-sulfide.” Chem. Mater. 26, 2891 (2014). 10.1021/cm5005642

15. K. Ramasamy, H. Sims, W.H. Butler, and A. Gupta, “Mono-, few-, and multiple layers of Copper Antimony Sulfide (CuSbS2): A tertiary layered sulfide.” J. Am. Chem. Soc. 136, 1587 (2014). 10.1021/ja411748g

14. H. Sims, K. Ramasamy, W.H. Butler, and A. Gupta, “Electronic structure of magnetic semiconductor CdCr2Te4: A possible spin-dependent symmetry filter.” Appl. Phys. Lett. 103, 192402 (2013). 10.1063/1.4827818

13. K. Ramasamy, H. Sims, R.K. Gupta, D. Kumar, W.H. Butler, and A. Gupta, “CoxCu1−xCr2S4 Nanocrystals: Synthesis, Magnetism, and Band Structure Calculations.” Chem. Mater. 25, 4003 (2013). 10.1021/cm401938f

12. B.S. Hollinsworth, D. Mazumdar, H. Sims, Q.C. Sun, M.K. Yurtisigi, S. K. Sarkar, A. Gupta, W.H. Butler, and J.L. Musfeldt, “Chemical tuning of the optical band gap in spinel ferrites: CoFe2O4 vs. NiFe2O4”. Appl. Phys. Lett. 103, 082406 (2013). 10.1063/1.4818315

11. H. Sims, E.R. Ylvisaker, E. Sasıoglu, C. Friedrich, S. Bluegel, and W.E. Pickett, “Effect of local electron-electron correlation in hydrogen-like impurities in Ge.” Phys. Rev. B 87, 195120 (2013). 10.1103/PhysRevB.87.195120

10. M.E. Williams, H. Sims, D. Mazumdar, and W.H. Butler, “Effects of 3-d and 4-d-transition metal substitutional impurities on the electronic properties of CrO2.” Phys. Rev. B 86, 235124 (2012). 10.1103/PhysRevB.86.235124

9. H. Sims, W. H. Butler, M. Richter, K. Koepernik, E. Sasıoglu, C. Friedrich, and S. Bluegel, “Theoretical Investigation into the Possibility of Very Large Moments in Fe16N2.” Phys. Rev. B 86, 174422 (2012). 10.1103/PhysRevB.86.174422

8. Q.-C. Sun, H. Sims, D. Mazumdar, J.X. Ma, B.S. Hollinsworth, K.R. O’Neal, W.H. Butler, A. Gupta, and J.L. Musfeldt, “Novel optical band gap hierarchy in a magnetic oxide: electronic structure of NiFe2O4.” Phys. Rev. B 86, 205106 (2012). 10.1103/PhysRevB.86.205106

7. K.B. Chetry, H. Sims, W.H. Butler, and A. Gupta. “A comparison of the growth modes of (100)- and (110)-oriented CrO2 films through the calculation of surface and interface energies.” J. Appl. Phys. 110, 113910 (2011). 10.1063/1.3664768

6. K.B. Chetry, H. Sims, W.H. Butler, and A. Gupta. “Electronic and magnetic structure of CrO2-RuO2 interfaces.” Phys. Rev. B 84, 054438 (2011). 10.1103/PhysRevB.84.054438

5. H. Sims, S.J. Oset, W.H. Butler, J.M. MacLaren, and M. Marsman. “Determining the anisotropic exchange coupling of CrO2 via first-principles density functional theory calculations.” Phys. Rev. B 81, 224436 (2010). 10.1103/PhysRevB.81.224436

4. M. Pathak, H. Sims, K.B. Chetry, D. Mazumdar, P.R. LeClair, G.J. Mankey, W.H. Butler, and A. Gupta. “Robust room-temperature magnetism of (110) CrO2 thin films.” Phys. Rev. B 80, 212405 (2009). 10.1103/PhysRevB.80.212405

3. M.E. Williams, W.H. Butler, C.K. Mewes, H. Sims, M. Chshiev, and S.K. Sarker. “Calculated electronic and magnetic structure of rutile phase V1−xCrxO2.” J. Appl. Phys. 105, 07E510 (2009). 10.1063/1.3072033

2. H. Sims and W.H. Butler. “Tunable coupling in CrO2 via RuO2 layers.” J. Appl. Phys. 105, 07C922 (2009). 10.1063/1.3068417

1. G.X. Miao, A. Gupta, H. Sims, and W.H. Butler, S. Ghosh, G. Xiao, “Giant magnetoresistive structures based on CrO2 with epitaxial RuO2 as the spacer layer.” J. Appl. Phys. 97, 10C924 (2005). 10.1063/1.1855532