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Houlong Zhuang


Houlong Zhuang is an assistant professor in aerospace and mechanical engineering in the School for Engineering of Matter, Transport and Energy at Arizona State University. He obtained his doctorate in materials science and engineering at Cornell University in 2014 working with Professor Richard Hennig. He worked as a postdoctoral researcher at Oak Ridge National Laboratory from 2014-2015 with Drs. Paul Kent, Valentino Cooper, and Panchapakesan Ganesh, and as a postdoctoral fellow at Princeton University from 2015-2017 with Professor Emily Carter. He was trained as a theoretical and computational materials scientist in various fields of materials science and engineering, especially in energy-related areas including catalysis, lightweight metal alloys, two-dimensional materials, and solid/liquid interfaces. His research experience has led to more than 70 peer-reviewed papers, with publications in journals such as Physical Review Materials, Physical Review B, Acta Materialia, and APL Materials. According to Google Scholar, his publications have been cited more than 4,200 times so far. 

  • Ph.D. Materials Science and Engineering; minor: Applied Engineering Physics, Cornell University
  • M.S. Materials Science and Engineering; minor: Applied Engineering Physics, Cornell University
  • M.Phil. Mechanical Engineering, The University of Hong Kong, China
  • B.Eng. Materials Science and Engineering, Hunan University, China
Research Interests: 
  • Materials design and discovery for clean and sustainable energy and environment
  • Two-dimensional quantum materials
  • Computational design of high-entropy alloys via machine learning and (orbital-free) density functional theory
  • Electrochemical properties of:  batteries, catalysts, and corrosion-resistant alloys
  • Ab initio playing of pentagonal puzzles
Research Group: 

PhD students:

Lei Liu (Fall 2017-present)

Arvind Ramachandran (Fall 2017-present, co-advise with Dr. Klaus Lackner)

Duo Wang (Fall 2018-present)

Undergraduat students:

Eugene Agravante (Fall 2019-present)

Sreeharsha Lakamsani (Fall 2019-present)

Past group members:

Wenjiang Huang (Spring 2018- Spring 2019; MORE student; currently a PhD student at Virginia Tech)

Chance Price (Spring 2019; FURI student)

Joel Joseph (Fall 2018-Spring 2019; SCENE student; Mesquite High School, Gilbert, AZ)

Sreeharsha Lakamsani (Fall 2018-Spring 2019; SCENE student; Hamilton High School, Chandler, AZ) 

Sameer Vij (Fall 2018-Spring 2019; SCENE student; Corona Del Sol High School, Tempe, AZ)

Immanuella Kankam (Spring 2018-Fall 2018; FURI and MORE student)

Pedro Martin (Spring 2018-Summer 2018; FURI student)


74. Synthesis and fundamental studies of Si-compatible (Si)GeSn and GeSn mid-IR systems with ultrahigh Sn contents.

      C. Xu, D. A. Ringwala, D. Wang, L. Liu, C. D. Poweleit, S. C. L. Chang, H. L. Zhuang, J. Menédez, and J. Kouvetakis

      Chemistry of Materials, in press (2019)

73. Ionic liquid-reinforced carbon nanofiber matrix enabled lean-electrolyte Li-S batteries via electrostatic attraction.

      X. Y. Wang, W. Zhang, D. Wang, H. L. Zhuang, S. Li, L. Fan, L. Li, X. Wang, Y. He, and Y. Y. Lu


      Energy Storage Materials, in press (2019)

72. Toward obtaining 2D and 3D and 1D PtPN with pentagonal pattern.

     D. Wang, L. Liu, and H. L. Zhuang

     Journal of Materials Science, 54, 14029 (2019). [doi:10.1007/s10853-019-03886-x]

71. Dimension engineering of single-layer PtN2 with the Cairo tessellation.

    L. Liu, D. Wang, S. Lakamsani, W. Huang, C. Price, and H. L. Zhuang

  Journal of Applied Physics, 125, 204302  (2019). [doi: 10.1063/1.5095239]

    Selected by the Editors as a Featured Article

70. Computational prediction and characterization of two-dimensional pentagonal arsenopyrite FeAsS.

    L. Liu and H. L. Zhuang

    Computational Materials Science, 166, 105 (2019). [doi:10.1016/j.commatsci.2019.04.040]

69. Machine-learning phase prediction of high-entropy alloys.

    W. Huang, P. Martin, and H. L. Zhuang

    Acta Materialia, 169, 225 (2019). [doi:10.1016/j.actamat.2019.03.012]

68. From pentagonal geometries to two-dimensional materials.

    H. L. Zhuang

    Computational Materials Science, 159, 448 (2019). [doi:10.1016/j.commatsci.2018.12.041]

    Invited review, a special issue devoted to the Rising Stars 

67. Ab initio playing of pentagonal puzzles.

    L. Liu, I. Kankam, and H. L. Zhuang

    Electronic Structure, 1, 015004 (2019). [doi:10.1088/2516-1075/aae303]

66. Single-layer ferromagnetic and piezoelectric CoAsS with pentagonal structure.

     L. Liu and H. L. Zhuang

     APL Materials, 7, 011101 (2019). [doi:10.1063/1.5079867]

65. Can an element form a two-dimensional nanosheet of type 15 pentagons?

    L. Liu, I. Kankam, and H. L. Zhuang

    Computational Materials Science, 154, 37 (2018). [doi: 10.1016/j.commatsci.2018.07.031]

64. Single-layer antiferromagnetic semiconductor CoS2 with pentagonal structure.

     L. Liu, I. Kankam, and H. L. Zhuang

    Physical Review B, 98, 205425 (2018). [doi: 10.1103/PhysRevB.98.205425]

63. PtP2: An example of exploring the hidden Cairo tessellation in the pyrite structure for discovering novel two-dimensional  materials.

    L. Liu and H. L. Zhuang

    Physical Review Materials, 2, 114003 (2018). [doi:10.1103/PhysRevMaterials.2.114003]

62. High-throughput functionalization of single-layer electride Ca2N.

     L. Liu and H. L. Zhuang

     Materials Research Express, 5, 076306 (2018). [doi:10.1088/2053-1591/aad024]

61. Tunable phase transition in single-layer TiSe2 via electric field.

      L. Liu and H. L. Zhuang

      Journal of Solid State Chemistry, 262, 309 (2018). [doi:10.1016/j.jssc.2018.03.034]

60. Machine learning for phase selection in multiprincipal element alloys.

     N. Islam, W. Huang, and H. L. Zhuang

     Computational Materials Science, 150, 230 (2018). [doi:10.1016/j.commatsci.2018.04.003]

59. Electrochemical surface passivation of LiCoO2 particles at ultrahigh voltage and its applications in lithium-based batteries.

     J. Qian, L. Liu, J. Yang, S. Li, H. L. Zhuang, and Y. Y. Lu

     Nature Communications, 9, 4918 (2018). [doi:10.1038/s41467-018-07296-6]

58. Ultimate control over hydrogen bond formation and reaction rates for scalable synthesis of highly crystalline vdW MOF nanosheets with large aspect ratio.

      Y. Shen, B. Shan, H. Cai, Y. Qin, A. Agarwal, D. B. Trivedi, B. Chen, L. Liu,  H. L. Zhuang, B. Mu, and S. Tongay

      Advanced Materials, 27, 1802497 (2018). [doi:10.1002/adma.201802497]

57. Highly crystalline synthesis of tellurene sheets on 2D surfaces: Control over helical chain direction of tellurene.

    S. Yang, B. Chen, Y. Qin, Y. Zhou, L. Liu, M. Durso, H. L. Zhuang, Y. Shen, and S. Tongay

    Physical Review Materials, 2, 104002 (2018). [doi:10.1103/PhysRevMaterials.2.104002]

56. Enabling stable lithium metal anode via 3D inorganic skeleton with superlithiophilic interphase.

     L. Fan, S. Li, L. Liu, W. Zhang, L. Gao, Y. Fu, F. Chen, J. Li, H. L. Zhuang, and Y. Y. Lu

     Advanced Energy Materials, 8, 1802350 (2018). [doi:10.1002/aenm.201802350]

55. Anomalous isoelectronic chalcogen rejection in 2D anisotropic vdW TiS3(1-x)Se3x trichalcogenides.

     A. Agarwal, Y. Qin, B. Chen, M. Blei, K. Wu, L. Liu, Y. Shen, D. Wright, M. D. Green, H. L. Zhuang, and S. Tongay

     Nanoscale, 10, 15654 (2018). [doi: 10.1039/C8NR04274H]

54. Orbital-free density functional theory characterization of the β′-Mg2Al3 Samson phase.

     H. L. Zhuang, M. Chen, and E. A. Carter

    Physical Review Materials, 2, 073603 (2018). [doi:10.1103/PhysRevMaterials.2.073603]

53. Anomalous dielectric response at intermixed oxide heterointerfaces.

     V. R. Cooper, H. L. Zhuang, L. Zhang, P. Ganesh, H. Xu, and P. R. C. Kent


52. Abnormal band bowing effects in phase instability crossover region of GaSe1-xTex nanomaterials.

      H. Cai, B. Chen, M. Blei, S. L. Y. Chang, K. Wu, H. L. Zhuang, and S. Tongay

      Nature Communications, 9, 1927 (2018). [doi:10.1038/s41467-018-04328-z]

51. Magnetoelectric and Raman spectroscopic studies of single-crystalline MnCr2O4.

     G. T. Lin, Y. Q. Wang, X. Luo, J. Ma, H. L. Zhuang, D. Qian, L. H. Yin, F. C. Chen, J. Yan, R. R. Zhang, S. L. Zhang, W.   Tong, W. H. Song, P. Tong, X. B. Zhu, and Y. P. Sun

      Physical Review B, 97, 064405 (2018). [doi:10.1103/PhysRevB.97.064405]

50. A “cation-anion regulation” synergistic anode host for dendrite-free lithium metal batteries.

     W. Zhang, H. L. Zhuang, L. Fan, L. Gao, and Y. Y. Lu

     Science Advances, 4, eaar4410 (2018). [doi:10.1126/sciadv.aar4410]

49. Stable lithium electrodeposition at ultra-high current densities enabled by 3D PMF/Li composite anode.

      L. Fan, H. L. Zhuang, W. Zhang, Y. Fu, Z. Liao, and Y. Y. Lu

      Advanced Energy Materials, 8, 1703360 (2018). [doi:10.1002/aenm.201703360]

48. An integrated methodology for screening hydrogen evolution reaction catalysts: Pt/Mo2C as an example.

      A. Tkalych, H. L. Zhuang, and E. A. Carter

      Springer Series in Materials Science series Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile, in press (2018).

47. Layered tetragonal zinc chalcogenides for energy-related applications: from photocatalysts for water

      splitting to electrode materials for Li-ion batteries.

      J. Zhou, H. L. Zhuang, and H. Wang

      Nanoscale, 9, 17303 (2017). [doi:10.1039/C7NR04289B]

46. Computational methods for 2D materials: discovery, property characterization, and application design.

     J. Paul, A. Singh, Z. Dong, H. L. Zhuang, B. Revard, B. Rijal, M. Ashton, A. Linscheid, M. Blonsky, D. Gluhovic, J. Guo,  and  R. G. Hennig

     Journal of Physics: Condensed Matter, 29, 473001 (2017). [doi:10.1088/1361-648X/aa9305]

45. Doping-controlled phase transitions in single-layer MoS2.

      H. L. Zhuang, M. D. Johannes, A. Singh, and R. G. Hennig

     Physical Review B, 96, 165305 (2017). [doi:10.1103/PhysRevB.96.165305]

44. Prediction and characterization of an Mg-Al intermetallic compound with potentially  

      improved ductility via orbital-free and Kohn-Sham density functional theory.

      H. L. Zhuang, M. Chen, and E. A. Carter

      Modeling and Simulation in Materials Science and Engineering, 25, 075002 (2017). [doi:10.1088/1361-651X/aa7e0c]

43. A density functional+U assessment of oxygen evolution reaction mechanisms on β-NiOOH.

      A. Tkalych, H. L. Zhuang, and E. A. Carter

      ACS Catalysis, 7, 5329 (2017). [doi:10.1021/acscatal.7b00999]

42. Tricritical behavior of the two-dimensional intrinsically ferromagnetic semiconductor   


      G. T. Lin, H. L. Zhuang, X. Luo, B. J. Liu, F. C. Chen, J. Yan, Y. Sun, J. Zhou, W. J. Lu, P.   

      Tong, Z. G. Sheng, Z. Qu, W. H. Song, X. B. Zhu, and Y. P. Sun

      Physical Review B, 95, 245212 (2017). [doi:10.1103/PhysRevB.95.245212]

41. Regulating Li deposition at artificial solid electrolyte interphases.

      L. Fan*, H. L. Zhuang*, L. Gao, Y. Y. Lu, and L. A. Archer (*equal contribution)

     Journal of Materials Chemistry A, 5, 3483 (2017). [doi:10.1039/C6TA10204B]

40. Competing antiferromagnetism in a quasi-2D itinerant ferromagnetic Fe3GeTe2.

    J. Y. Yi, H. L. Zhuang, Q. Zou, Z. Wu, G. Cao, S. Tang, S. A. Calder, P. R. C. Kent, D. Mandrus, and Z. Gai

    2D Materials, 4, 011005 (2017). [doi:10.1088/2053-1583/4/1/011005]

39. Surface energy as a descriptor of catalytic activity.

     H. L. Zhuang, A. Tkalych, and E. A. Carter

     Journal of Physical Chemistry C, 120, 23698 (2016). [doi:10.1021/acs.jpcc.6b09687]

38. Elastic and thermodynamic properties of complex Mg-Al intermetallic compounds via orbital- 

     free density functional theory.

     H. L. Zhuang, M. Chen, and E. A. Carter

     Physical Review Applied, 5, 064021 (2016). [doi:10.1103/PhysRevApplied.5.064021]

37. Understanding and tuning the hydrogen evolution reaction on Pt-covered tungsten            

     carbide cathodes.

       H. L. Zhuang, A. J. Tkalych, and E. A. Carter

       Journal of The Electrochemical Society, 163, F629 (2016). [doi:10.1149/2.0481607jes]

 36. Petascale computations of orbital-free density functional theory enabled by small-box 


       M. Chen, X. -W. Jiang, H. L. Zhuang, L.-W. Wang, and E. A. Carter

       Journal of Chemical Theory and Computation, 12, 2950 (2016). [doi:10.1021/acs.jctc.6b00326]

35. Tunable one-dimensional electron gas carrier densities at oxide nanostructured interfaces.

       H. L. Zhuang, L. P. Zhang, H. X. Xu, P. R. C. Kent, P. Ganesh, and V. R. Cooper

       Scientific Reports, 6, 25452 (2016). [doi:10.1038/srep25452]

34. Strong anisotropy and magnetostriction in 2D Stoner ferrogmagnet Fe3GeTe2.

       H. L. Zhuang, P. R. C. Kent, and R. G. Hennig

       Physical Review B, 93, 134407 (2016). [doi:10.1103/PhysRevB.93.134407]

33. Stability and magnetism of strongly correlated single-layer VS2.

      H. L. Zhuang and R. G. Hennig

     Physical Review B, 93, 054429 (2016). [doi:10.1103/PhysRevB.93.054429]

32. Density functional theory study of bulk and single-layer magnetic semiconductor CrPS4.

     H. L. Zhuang and J. Zhou

      Physical Review B, 94, 195307 (2016). [doi:10.1103/PhysRevB.94.195307]

31. Chloride-reinforced carbon nanofiber host as effective polysulfide traps in lithium-sulfur


     L. Fan*, H. L. Zhuang*, K. Zhang, V. Cooper, Q. Li, and Y. Y. Lu (*equal contribution)

     Advanced Science, 3, 1600175 (2016). [doi:10.1002/advs.201600175]

30. Ultrathin nanosheets of CrSiTe3: a semiconducting two-dimensional ferromagnetic material.

      M.-W. Lin*, H. L. Zhuang*, J. Q. Yan, T. Z. Ward, J. Yan, A. A. Puretzky, C. M. Rouleau, Z.   

      Gai, L. Liang, V. Meunier, B. Sumpter, P. Ganesh, P. R. C. Kent, D. B. Geohegan, D.    

      Mandrus, K. Xiao (*equal contribution)

      Journal of Materials Chemistry C, 4, 315 (2016). [doi:10.1039/C5TC03463A]

29. First-Principles study on the 1T phase of GaX (X = S, Se) monolayers.

      J. Zhou and H. L. Zhuang

      ChemistrySelect, 1, 5779 (2016). [doi:10.1002/slct.201601144]

28. Oxygen vacancy diffusion in bulk SiTiO3 from density functional theory calculation.

       L. P. Zhang, B. Liu, H. L. Zhuang, P. R. C. Kent, V. R. Cooper, P. Ganesh, and H. X. Xu

      Computational Materials Science, 118, 309 (2016). [doi:10.1016/j.commatsci.2016.02.041]

 27. Interface orbital engineering of large-gap topological states: decorating gold in Si 

      (111) surface.

       B. Huang, K. -H. Jin, H. L. Zhuang, L. Zhang, and F. Liu

       Physical Review B, 93, 115117 (2016). [doi:10.1103/PhysRevB.93.115117]

 26. Enhanced Li-S batteries using Amine-functionalized CNT in the cathode.

        L. Ma, H. L. Zhuang, S. Wei, K. E. Hendrickson, M. S. Kim, G. Cohn, R. G. Hennig, and

        L. A. Archer

        ACS Nano, 10, 1050 (2016). [doi:10.1021/acsnano.5b06373]

25. Hybrid cathode architectures for lithium batteries based on TiS2 and sulfur.

       L. Ma, S. Wei, H. L. Zhuang, K. E. Hendrickson, R. G. Hennig, and L. A. Archer

      Journal of Materials Chemistry A, 3, 19857 (2015). [doi:10.1039/C5TA06348E]

24. Ab-initio prediction of piezoelectricity in two-dimensional materials.

      M. N. Blonsky, H. L. Zhuang, A. Singh, and R. G. Hennig

      ACS Nano, 9, 9885 (2015). [doi:10.1021/acsnano.5b03394]

23. Rashba effect in single-layer antimony telluroiodide SbTeI

      H. L. Zhuang, V. R. Cooper, H. X. Xu, P. Ganesh, R. G. Hennig, and P. R. C. Kent

      Physical Review B, 92, 115302 (2015). [doi:10.1021/acsnano.5b03394]

22. Computational discovery of ferromagnetic semiconducting single-layer CrSnTe3.

      H. L. Zhuang, Y. Xie, P. R. C. Kent, and P. Ganesh

      Physical Review B, 92, 035407 (2015). [doi:10.1103/PhysRevB.92.035407]

21. Highly stable two-dimensional silicon phosphides: different stoichiometries and exotic

      electronic properties.

      B. Huang, H. L. Zhuang, M. Yoon, B. G. Sumpter, and S-H. Wei

      Physical Review B, 91, 121401(R) (2015). [doi:10.1103/PhysRevB.91.121401]

20. Strong spin-lattice coupling in CrSiTe3.

      L. D. Casto, A. J. Clune, M. Yokosuk, J. L. Musfeldt, T. J. Williams, H. L. Zhuang, M.W.  

      Lin, K. Xiao, R. G. Hennig, B. C. Sales, J. Q. Yan, D. Mandrus

      APL Materials, 3, 041515 (2015). [doi:10.1063/1.4914134]

19. Computational screening of single-layer materials for photocatalysis.

      A. K. Singh, M. Kiran, H. L. Zhuang, and R. G. Hennig.

      Journal of Physical Chemistry Letters, 6, 1087 (Perspective, Cover article) (2015). [doi:10.1021/jz502646d]

18. Prediction and characterization of MXene nanosheet anodes for non-lithium-ion batteries.

      Y. Xie, Y Dall’Agnese, M. Naguib, Y. Gogotsi, H. L. Zhuang, and P. R. C. Kent

      ACS Nano, 8, 9606 (2014). [doi:10.1021/nn503921j]

17. Understanding the interactions between oxygen vacancies at SrTiO3 (001) surfaces.

      H. L. Zhuang, P. Ganesh, V. R. Cooper, H. X. Xu, and  P. R. C. Kent

      Physical Review B, 90, 064106  (2014). [doi:10.1103/PhysRevB.90.064106]

16. Tethered molecular sorbents: enabling lithium-sulfur battery cathodes.

       L. Ma, H. L. Zhuang, Y. Lu, S.S. Moganty, R. G. Hennig, and L. A. Archer

      Advanced Energy Materials, 4, 1400390 (2014). [doi:10.1002/aenm.201470090]

15. Ab-initio synthesis of single-layer III-V materials.

      A. Singh, H. L. Zhuang, and R. G. Hennig

      Physical Review B, 89, 245431 (2014). [doi:10.1103/PhysRevB.89.245431]

14. Computational discovery, characterization and design of single-layer materials.

      H. L. Zhuang, and R. G. Hennig 

      JOM, 66, 366 (2014). [doi:10.1007/s11837-014-0885-3]

13. Computational prediction and characterization of single-layer CrS2.

       H. L. Zhuang, M. D. Johannes, M. N. Blonsky, and R. G. Hennig. 

      Applied Physics Letters, 104, 022116 (2014). [doi:10.1063/1.4861659]

12. Computational identification of single-layer CdO for electronic and optical applications.

       H. L. Zhuang, and R. G. Hennig                       

       Applied Physics Letters, 103, 212102 (2013). [doi:10.1063/1.4831972]

11. Single-layer group-III monochalcogenide photocatalysts for water splitting.

      H. L. Zhuang, and R. G. Hennig 

     Chemistry of Materials, 25, 3232 (2013). [doi:10.1021/cm401661x]

10. Computational search for single-layer transition-metal dichalcogenide photocatalysts.

     H. L. Zhuang, and R. G. Hennig 

    Journal of Physical Chemistry C, 117, 20440 (2013). [doi:10.1021/jp405808a]

9. Theoretical perspective of photocatalytic properties of single-layer SnS2.

    H. L. Zhuang, and R. G. Hennig 

    Physical Review B, 88, 115314 (2013). [doi:10.1103/PhysRevB.88.115314]

8. Computational discovery of single-layer III-V materials.

    H. L. Zhuang, A. Singh, and R. G. Hennig

    Physical Review B, 87, 165425 (2013). [doi:10.1103/PhysRevB.87.165415]

7. Accuracy of exchange-correlation functionals and effects of solvation on the surface energy of  copper.    

     M. Fishman, H. L. Zhuang, K. Mathew, W. Dirschka, and R. G. Hennig

     Physical Review B, 87, 245402 (2013). [doi:10.1103/PhysRevB.87.245402]

6. Electronic structures of single-layer boron pnictides.

     H. L. Zhuang, and R. G. Hennig

    Applied Physics Letters, 101, 153109 (2012). [doi:10.1063/1.4758465]

5. Angle-resolved Raman imaging of interlayer rotations and interactions in twisted bilayer


     R.W. Havener, H. L. Zhuang, L. Brown, R. G. Hennig, and J. Park

     Nano Letters, 12, 3162 (2012). [doi:10.1021/nl301137k]

4. Softened elastic response and unzipping in chemical vapor deposition graphene membranes.

     C. S. Ruiz-Vargas, H. L. Zhuang, P. Y. Huang, A. M. van der Zande, S. Garg, P. L. McEuen, D. A. Muller, R. G. Hennig, and        J. Park

     Nano Letters, 11, 2259 (2011). [doi:10.1021/nl200429f]

3. Interactions between transition metals and defective carbon nanotubes.

     H. L. Zhuang, G. P. Zheng, and A. K. Soh

     Computational Materials Science, 43, 823 (2008). [doi:10.1016/j.commatsci.2008.01.071]

2. Magneto-mechanical coupling behavior of defective single-walled carbon nanotubes.

    G. P. Zheng, and H. L. Zhuang

    Nanotechnology, 19, 325701 (2008). [doi:10.1088/0957-4484/19/32/325701]

​1. Enhanced mechanical strength and ductility of metal-repaired defective carbon nanotubes: A

    density functional study.

     G. P. Zheng, and H. L. Zhuang

     Applied Physics Letters, 92, 191902 (2008). [doi:10.1063/1.2924275]

Summer 2020
Course NumberCourse Title
MSE 792Research
Spring 2020
Course NumberCourse Title
MAE 201Mech. Particles/Rigid Bodies I
MSE 792Research
MAE 792Research
MSE 799Dissertation
Fall 2019
Course NumberCourse Title
ASU 101-MEEThe ASU Experience
MAE 494Special Topics
MSE 494Special Topics
MSE 598Special Topics
MAE 598Special Topics
MSE 792Research
MAE 792Research
Summer 2019
Course NumberCourse Title
MSE 792Research
Spring 2019
Course NumberCourse Title
MAE 201Mech. Particles/Rigid Bodies I
MSE 792Research
MAE 792Research
Fall 2018
Course NumberCourse Title
MAE 201Mech. Particles/Rigid Bodies I
MSE 792Research
MAE 792Research
Summer 2018
Course NumberCourse Title
MSE 792Research
Spring 2018
Course NumberCourse Title
MSE 792Research
MAE 792Research
Fall 2017
Course NumberCourse Title
MSE 501Linear Algebra in Engineering
MAE 501Linear Algebra in Engineering
MSE 792Research
MAE 792Research
Honors / Awards: 

2019 Finalist for the inaugural Rising Stars in Computational Materials Science Special Issue and Prize

Invited Talks

April, 2020 Invited talk at the MRS Spring Meeting & Exhibit, Phoenix, AZ.

July, 2019 Invited talk at the 2nd Global Forum on Advanced Materials and Technologies for Sustainable Development (GFMAT-2), Toronto, Canada.

June, 2019 Invited talk in the Department of Physics & Astronomy at the University of California, Irvine, CA.

March, 2019  Invited talk at the Computational Electrocatalysis Symposium at the National Meeting of the American Chemical Society, Orlando, FL.

January, 2019 Invited talk at the 43rd International Conference and Exposition on Advanced Ceramics and Composites, Daytona Beach, FL.

July, 2018 Invited talk at the Materials in Space Workshop of the ISS National Lab, San Francisco, CA.

February, 2018 Plenary talk at The 58th Sanibel Symposium, Brunswick, GA.

March, 2017 Invited talk at the TMS 2017 146th Annual Meeting and Exhibition, San Diego, CA.


Editor, Materials Today Communications

Editorial Board, Scientific Reports​

Guest Editor, Special issue on "Quantum Materials for Energy-Efficient Computing", JOM

Guest Editor, Special issue on "Microstructure Characterization: Descriptors, Data-Intensive Techniques, and Uncertainty Quantification", JOM

Guest Editor, Special issue on "Computational Materials Science", Mathematical Bioscience & Engineering

Section Editor,  Encyclopedia of Ionic Liquids, Springer Nature Publishing

Professional Associations: 

Member of The Materials Research Society, The Minerals, Metals & Materials Society,  The Institute of Electrical and Electronics Engineers, The American Ceramic Society, The American Chemical Society, and The American Physical Society,


Grand Awards Judge at the Intel International Science and Engineering Fair 2019

Member, Materials Research Society Awards Nomination Subcommittee

Proposal reviewer for:  NSF-DMR, ACS Petroleum Research Fund,  and The Cy-Tera & LinkSCEEM-2 HPC Production Access

Referee for: Vacuum, Scientific Reports, Science Bulletin, Science Advances, RSC Advances, Physical Review Letters, Physical Review B, Physics Letters A, Physica Status Solidi (RRL), Physica Status Solidi B, Physica E, Optics Express, New Journal of Physics, Nature Communications, Nanoscale, Nano Research, Nano Letters, Nanotechnology, Modern Physics Letters B, Modeling and Simulation in Materials Science and Engineering, Materials Science and Engineering: B, Journal of Vacuum Science and Technology B, Journal of Physics: Condensed Matter, Journal of Physical Chemistry C, Journal of Materials Science, Journal of Materials Chemistry A, Journal of Magnetism and Magnetic Materials, Journal of Food Safety, Journal of Applied Physics, Journal of Alloys and Compounds, Journal of the American Chemical Society, Journal of the American Ceramic Society, International Journal of Plasticity, International Journal of Materials Research, International Journal of Energy Research, Intermetallics, IEEE Transactions on Electron Devices, Industrial & Engineering Chemistry Research, Extreme Mechanics Letters, Expert Systems with Applications, Energy Technology, Electrochimica Acta, Crystals, Computer Physics Communications, Computational Materials Science,  Chemical Physics Letters, Chemistry of Materials, Carbon, Applied Surface Science, Applied Physics Letters, Applied Nanoscience, Applied Materials Today, Analytical Chemistry, AIP Advances, Advanced Science, Acta Materialia, ACS Applied Nano Materials, ACS Applied Materials & Interfaces, 2D Materials

Book reviewer for: Chapters 8-10, Linear Algebra and Its Applications (5th Edition) by D. C. Lay, S. R. Lay, and J. J. McDonald

Fellowship reviewer for: ARCS Fellowship ASU Nominations

Session chair: APS March Meeting 2015, Session Q11, and Chalcogenide Superconductors


Telluride Workshop on New Experimental and Theoretical Developments of High-Entropy Materials, Telluride, Colorado, June 2020

237th ECS Meeting with 18th International Meeting on Chemical Sensors (IMCS 2020), Montreal, Canada, May 10-15, 2020

TMS2020, Computational Discovery and Design of Emerging Materials, San Diego, California

ACS2019 Fall,  Atomic-level Understanding and Design of Materials and Processes for Energy Applications, San Diego, California

Telluride Workshop on Frontiers in Theory and Simulations of Two-dimensional Materials, Telluride, Colorado, June, 2019

ACS2019 Spring,  Energy and Fuels Symposium, Simulations of Materials and Processes for Energy Applications, Orlando, Florida

TMS2019, Computational Approaches for Big Data, Artificial Intelligence and Uncertainty Quantification in Computational Materials Science

TMS2018, Computational Materials Discovery and Optimization