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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 under the supervision of Prof. Richard G. Hennig (now at the University of Florida). 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 Prof. Emily Carter (now at UCLA). 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.
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
CrGeTe3.
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
techniques.
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
batteries.
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
graphene.
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]
| Spring 2020 | |
|---|---|
| Course Number | Course Title |
| MAE 201 | Mech. Particles/Rigid Bodies I |
| MSE 792 | Research |
| MAE 792 | Research |
| MSE 799 | Dissertation |
| Fall 2019 | |
|---|---|
| Course Number | Course Title |
| ASU 101-MEE | The ASU Experience |
| MAE 494 | Special Topics |
| MSE 494 | Special Topics |
| MSE 598 | Special Topics |
| MAE 598 | Special Topics |
| MSE 792 | Research |
| MAE 792 | Research |
| Summer 2019 | |
|---|---|
| Course Number | Course Title |
| MSE 792 | Research |
| Spring 2019 | |
|---|---|
| Course Number | Course Title |
| MAE 201 | Mech. Particles/Rigid Bodies I |
| MSE 792 | Research |
| MAE 792 | Research |
| Fall 2018 | |
|---|---|
| Course Number | Course Title |
| MAE 201 | Mech. Particles/Rigid Bodies I |
| MSE 792 | Research |
| MAE 792 | Research |
| Summer 2018 | |
|---|---|
| Course Number | Course Title |
| MSE 792 | Research |
| Fall 2017 | |
|---|---|
| Course Number | Course Title |
| MSE 501 | Linear Algebra in Engineering |
| MAE 501 | Linear Algebra in Engineering |
| MSE 792 | Research |
| MAE 792 | Research |
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
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
Co-organizer:
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