HR job title
- Associate Professor
- Contact Info
Qian, Xiaofeng Associate Professor
Positions
- Assistant Professor, Materials Science and Engineering, College of Engineering
- Associate Professor, Materials Science and Engineering, College of Engineering
- Faculty Affiliate, Energy Institute, Texas A&M Engineering Experiment Station (TEES)
My research focuses on: Materials Theory, Discovery, and Design for Energy Applications and Device Design Aided by HighThroughput Computing; Two-Dimensional Materials and Their Coupled Multi-Physical Properties and Novel Device Concepts; Electronic, Thermal, Ionic, and Excitonic Transport in Nanostructured Materials; First-Principles Methodology Development towards Efficient and Accurate Prediction of Ground-state and Excited-state Properties of Materials; and Multiscale Materials Modeling of Complex Physical and Chemical Processes.
- Overview
- Publications
- Research
- Teaching
- Background
- Contact
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Overview
Publications
selected publications
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academic article
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Woo, K. S., Zhang, A., Arabelo, A., Brown, T. D., Park, M., Talin, A. A., ... Kumar, S.
(2024).
True random number generation using the spin crossover in LaCoO3. Nature Communications.
15(1), 4656.
-
Tang, J., Ding, T. S., Chen, H., Gao, A., Qian, T., Huang, Z., ... Ma, Q.
(2024).
Dual quantum spin Hall insulator by density-tuned correlations in TaIrTe4. Nature.
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Qian, X., Yoon, B., Arryave, R., Qian, X., & Dougherty, E. R.
(2023).
Knowledge-driven learning, optimization, and experimental design under uncertainty for materials discovery. 4(11), 100863-100863.
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Shi, C., Mao, N., Zhang, K., Zhang, T., Chiu, M., Ashen, K., ... Han, Y.
(2023).
Domain-dependent strain and stacking in two-dimensional van der Waals ferroelectrics. Nature Communications.
14(1), 7168.
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Mao, N., Luo, Y., Chiu, M., Shi, C., Ji, X., Pieshkov, T. S., ... Kong, J.
(2023).
Giant Nonlinear Optical Response via Coherent Stacking ofIn-Plane Ferroelectric Layers. 35(26), e2210894.
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Yang, N., Lin, Y. C., Chuu, C., Rahman, M. S., Wu, T., Chou, A., ... Wang, H.
(2023).
Ab Initio Computational Screening and Performance Assessment of van der Waals and Semimetallic Contacts to Monolayer WSe2 P-Type Field-Effect Transistors. 70(4), 2090-2097.
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Luo, D., Zhang, B., Sie, E. J., Nyby, C. M., Fan, Q., Shen, X., ... Lindenberg, A. M.
(2023).
Ultrafast Optomechanical Strain in Layered GeS. Nano Letters.
23(6), 2287-2294.
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Schofield, P., Braham, E. J., Zhang, B., Andrews, J. L., Drozdick, H. K., Zhao, D., ... Banerjee, S.
(2022).
Decoupling the metal-insulator transition temperature and hysteresis of VO2 using Ge alloying and oxygen vacancies. Chemical Communications.
58(46), 6586-6589.
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Wilson, N., Willhelm, D., Qian, X., Arroyave, R., & Qian, X.
(2022).
Batch active learning for accelerating the development of interatomic potentials. COMPUTATIONAL MATERIALS SCIENCE.
208, 111330-111330.
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Wang, H., Tang, X., Xu, H., Li, J. u., & Qian, X.
(2022).
Generalized Wilson loop method for nonlinear light-matter interaction. npj Quantum Materials.
7(1), 61.
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Willhelm, D., Wilson, N., Arroyave, R., Qian, X., Cagin, T., Pachter, R., & Qian, X.
(2022).
Predicting Van der Waals Heterostructures by a Combined Machine Learning and Density Functional Theory Approach. ACS Applied Materials & Interfaces.
14(22), 25907-25919.
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Strasser, A., Wang, H., & Qian, X.
(2022).
Nonlinear Optical and Photocurrent Responses in Janus MoSSe Monolayer and MoS2-MoSSe van der Waals Heterostructure. Nano Letters.
22(10), 4145-4152.
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Zhang, B., Wheatley, C., Chen, P., Qian, X., & Demkowicz, M. J.
(2022).
Shear strain alters the structure and migration mechanism of self-interstitial atoms in copper. Physical Review Materials.
6(5), 053605.
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Bai, H., Chu, P., Tsai, J., Wilson, N., Qian, X., Yan, Q., & Ling, H.
(2022).
Graph neural network for Hamiltonian-based material property prediction. 34(6), 4625-4632.
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Zambrano, B. A., Gharahi, H., Lim, C. Y., Lee, W., & Baek, S.
(2022).
Association of vortical structures and hemodynamic parameters for regional thrombus accumulation in abdominal aortic aneurysms. International Journal for Numerical Methods in Biomedical Engineering.
38(2), e3555.
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Ma, X., Kudtarkar, K., Chen, Y., Cunha, P., Ma, Y., Watanabe, K., ... Lan, S.
(2022).
Coherent momentum control of forbidden excitons. Nature Communications.
13(1), 6916.
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Zhang, B., & Qian, X.
(2022).
Competing Superior Electronic Structure and Complex Defect Chemistry in Quasi-One-Dimensional Antimony Chalcogenide Photovoltaic Absorbers. ACS Applied Energy Materials.
5(1), 492-502.
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Handy, J. V., Andrews, J. L., Zhang, B., Kim, D., Bhuvanesh, N., Tu, Q., Qian, X., & Banerjee, S.
(2022).
Topochemical stabilization and single-crystal transformations of a metastable 2D '-V2O5 intercalation cathode. Cell Reports Physical Science.
3(1), 100712-100712.
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Li, W., Qian, X., & Li, J. u.
(2021).
Phase transitions in 2D materials. Nature Reviews Materials.
6(9), 829-846.
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Ni, Z., Haglund, A. V., Wang, H., Xu, B., Bernhard, C., Mandrus, D. G., ... Wu, L.
(2021).
Imaging the Néel vector switching in the monolayer antiferromagnet MnPSe3 with strain-controlled Ising order. Nature Nanotechnology.
16(7), 782-787.
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Zhang, K., Guo, Y., Ji, Q., Lu, A., Su, C., Wang, H., ... Huang, S.
(2021).
Correction to "Enhancement of van der Waals Interlayer Coupling through Polar Janus MoSSe". Journal of the American Chemical Society.
143(13), 5278-5278.
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Rhodes, D. A., Jindal, A., Yuan, N., Jung, Y., Antony, A., Wang, H., ... Hone, J.
(2021).
Enhanced Superconductivity in Monolayer Td-MoTe2. Nano Letters.
21(6), 2505-2511.
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Huyan, S., Lyu, Y., Wang, H., Deng, L., Wu, Z., Lv, B., ... Chu, C.
(2021).
Interfacial Superconductivity Achieved in Parent AEFe2As2 (AE = Ca, Sr, Ba) by a Simple and Realistic Annealing Route. Nano Letters.
21(5), 2191-2198.
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Savvidou, A. F., Clark, J. K., Wang, H., Wei, K., Choi, E. S., Mozaffari, S., ... Balicas, L.
(2021).
Complex Dirac-like Electronic Structure in Atomic Site-Ordered Rh3In3.4Ge3.6. CHEMISTRY OF MATERIALS.
33(4), 1218-1227.
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Ma, X., Lyu, H., Hao, K., Zhao, Y., Qian, X., Yan, Q., & Su, G.
(2021).
Large family of two-dimensional ferroelectric metals discovered via machine learning. 66(3), 233-242.
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Al Husseini, D., Karanth, Y., Zhou, J., Willhelm, D., Qian, X., Gutierrez-Osuna, R., ... Sukhishvili, S. A.
(2021).
Surface Functionalization Utilizing Mesoporous Silica Nanoparticles for Enhanced Evanescent-Field Mid-Infrared Waveguide Gas Sensing. 11(2), 118-118.
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Velumani, S., Regmi, G., Lee, M., Castaneda, H., Kuttolamadom, M., Qian, X., & Kassiba, A.
(2021).
Engineered Zr/Zn/Ti oxide nanocomposite coatings for multifunctionality. Applied Surface Science.
563, 150353-150353.
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Liang, J., Fang, Q., Wang, H., Xu, R., Jia, S., Guan, Y., ... Lou, J.
(2020).
Perovskite-Derivative Valleytronics. ADVANCED MATERIALS.
32(48), e2004111-2004111.
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Al Husseini, D., Zhou, J., Willhelm, D., Hastings, T., Day, G. S., Zhou, H., ... Sukhishvili, S. A.
(2020).
All-nanoparticle layer-by-layer coatings for Mid-IR on-chip gas sensing. Chemical Communications.
56(91), 14283-14286.
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Choudhary, K., Garrity, K. F., Reid, A., DeCost, B., Biacchi, A. J., Hight Walker, A. R., ... Tavazza, F.
(2020).
The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design. npj Computational Materials.
6(1), 173.
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Zhang, K., Guo, Y., Ji, Q., Lu, A., Su, C., Wang, H., ... Huang, S.
(2020).
Enhancement of van der Waals Interlayer Coupling through Polar Janus MoSSe. Journal of the American Chemical Society.
142(41), 17499-17507.
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Sellers, D. G., Braham, E. J., Villarreal, R., Zhang, B., Parija, A., Brown, T. D., ... Banerjee, S.
(2020).
Atomic Hourglass and Thermometer Based on Diffusion of a Mobile Dopant in VO2. Journal of the American Chemical Society.
142(36), 15513-15526.
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Zhu, Z., Zhang, B., Chen, X., Qian, X., & Qi, J.
(2020).
Electric field control of molecular magnetic state by two-dimensional ferroelectric heterostructure engineering. Applied Physics Letters.
117(8), 082902.
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Wang, H., Qi, J., & Qian, X.
(2020).
Electrically tunable high Curie temperature two-dimensional ferromagnetism in van der Waals layered crystals. Applied Physics Letters.
117(8), 083102.
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Xiao, J., Wang, Y., Wang, H., Pemmaraju, C. D., Wang, S., Muscher, P., ... Lindenberg, A. M.
(2020).
Berry curvature memory through electrically driven stacking transitions. Nature Physics.
16(10), 1028-+.
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Taghinejad, M., Xu, Z., Wang, H., Taghinejad, H., Lee, K., Rodrigues, S. P., ... Cai, W.
(2020).
Photocarrier-Induced Active Control of Second-Order Optical Nonlinearity in Monolayer MoS2. Small.
16(5), e1906347-1906347.
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Pandey, A., Miao, P., Klemm, M., He, H., Wang, H., Qian, X., Lynn, J. W., & Aronson, M. C.
(2020).
Correlations and incipient antiferromagnetic order within the linear Mn chains of metallic Ti4MnBi2. Physical review B (PRB).
102(1), 014406.
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Wang, H., & Qian, X.
(2020).
Electrically and magnetically switchable nonlinear photocurrent in PT-symmetric magnetic topological quantum materials. npj Computational Materials.
6(1), 199.
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Li, L., Cheng, J., Wang, H., Huang, J., Gao, X., Wang, X., ... Wang, H.
(2019).
Interfacial Engineering Enabled Novel Bi-Based Layered Oxide Supercells with Modulated Microstructures and Tunable Physical Properties. Crystal Growth and Design.
19(12), 7088-7095.
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Guo, L., Zhang, B., Ranjit, S., Wall, J., Saurav, S., Hauser, A. J., ... Yan, F.
(2019).
Interface Engineering via Sputtered Oxygenated CdS:O Window Layer for Highly Efficient Sb2Se3 Thin-Film Solar Cells with Efficiency Above 7%. Solar RRL.
3(10),
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Hu, Y., Zhao, G. e., Zhang, B., Yang, C., Zhang, M., Liu, Z., Qian, X., & Qi, L.
(2019).
Local electronic descriptors for solute-defect interactions in bcc refractory metals. Nature Communications.
10(1), 4484.
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Wang, H., & Qian, X.
(2019).
Ferroicity-driven nonlinear photocurrent switching in time-reversal invariant ferroic materials. Science Advances.
5(8), eaav9743.
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Guo, L., Grice, C., Zhang, B., Xing, S., Li, L., Qian, X., & Yan, F.
(2019).
Improved stability and efficiency of CdSe/Sb2Se3 thin-film solar cells. 188, 586-592.
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Guo, L., Zhang, B., Li, S., Montgomery, A., Li, L., Xing, G., ... Yan, F.
(2019).
Interfacial engineering of oxygenated chemical bath-deposited CdS window layer for highly efficient Sb2Se3 thin-film solar cells. 10, 100125-100125.
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Huang, J., Wang, H., Wang, H., Zhang, B., Qian, X., & Wang, H.
(2019).
Superconducting Iron Chalcogenide Thin Films Integrated on Flexible Mica Substrates. IEEE Transactions on Applied Superconductivity.
29(5), 1-4.
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Guo, L., Zhang, B., Li, S., Zhang, Q., Buettner, M., Li, L., Qian, X., & Yan, F.
(2019).
Scalable and efficient Sb2S3 thin-film solar cells fabricated by close space sublimation. APL Materials.
7(4), 041105.
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Shi, F., He, J., Zhang, B., Peng, J., Ma, Y., Chen, W., ... Wu, J.
(2019).
Plasmonic-Enhanced Oxygen Reduction Reaction of Silver/Graphene Electrocatalysts. Nano Letters.
19(2), 1371-1378.
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Wang, H., & Qian, X.
(2019).
Ferroelectric nonlinear anomalous Hall effect in few-layer WTe2. npj Computational Materials.
5(1), 119.
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Rossi, D., Wang, H., Dong, Y., Qiao, T., Qian, X., & Son, D. H.
(2018).
Light-Induced Activation of Forbidden Exciton Transition in Strongly Confined Perovskite Quantum Dots. ACS Nano.
12(12), 12436-12443.
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Guo, L., Zhang, B., Qin, Y., Li, D., Li, L., Qian, X., & Yan, F.
(2018).
Tunable Quasi-One-Dimensional Ribbon Enhanced Light Absorption in Sb2Se3 Thin-film Solar Cells Grown by Close-Space Sublimation. 2(10),
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Qi, J., Wang, H., Chen, X., & Qian, X.
(2018).
Two-dimensional multiferroic semiconductors with coexisting ferroelectricity and ferromagnetism. Applied Physics Letters.
113(4), 043102.
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Qian, X.
(2018).
(Invited) Theory and Device Concepts of Novel Electronic, Optoelectronic, and Topological 2D Materials. ECS Meeting Abstracts.
MA2018-01(10), 884-884.
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Wang, J., Ronneberger, I., Zhou, L., Lu, L. u., Deringer, V. L., Zhang, B., ... Zhang, W.
(2018).
Unconventional two-dimensional germanium dichalcogenides. Nanoscale.
10(16), 7363-7368.
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Zhang, Q., Liu, Z., Sun, Y., Yang, H., Jiang, J., Mo, S., ... Yang, L.
(2017).
Lifshitz Transitions Induced by Temperature and Surface Doping in Type-II Weyl Semimetal Candidate Td-WTe2. Physica Status Solidi - Rapid Research Letetrs.
11(12),
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Yoo, H. D., Liang, Y., Dong, H., Lin, J., Wang, H., Liu, Y., ... Yao, Y.
(2017).
Fast kinetics of magnesium monochloride cations in interlayer-expanded titanium disulfide for magnesium rechargeable batteries. Nature Communications.
8(1), 339.
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Wang, H., & Qian, X.
(2017).
Giant Optical Second Harmonic Generation in Two-Dimensional Multiferroics. Nano Letters.
17(8), 5027-5034.
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Wang, H., & Qian, X.
(2017).
Two-dimensional multiferroics in monolayer group IV monochalcogenides. 2D Materials.
4(1), 015042-015042.
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Liu, J., Wang, H., Fang, C., Fu, L., & Qian, X.
(2017).
van der Waals Stacking-Induced Topological Phase Transition in Layered Ternary Transition Metal Chalcogenides. Nano Letters.
17(1), 467-475.
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Liu, Z., Yin, Z., Cox, C., Bosman, M., Qian, X., Li, N. a., ... Nocera, D. G.
(2016).
Room temperature stable CO x -free H2 production from methanol with magnesium oxide nanophotocatalysts. Science Advances.
2(9), e1501425.
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Qi, J., Li, X., & Qian, X.
(2016).
Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane. Applied Physics Letters.
108(25), 253107.
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Qian, X., Kawai, M., Goto, H., & Li, J. u.
(2015).
Effect of twin boundaries and structural polytypes on electron transport in GaAs. COMPUTATIONAL MATERIALS SCIENCE.
108, 258-263.
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Qian, X., Wang, Y., Li, W., Lu, J., & Li, J. u.
(2015).
Modelling of stacked 2D materials and devices. 2D Materials.
2(3), 032003-032003.
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Qian, X., Umari, P., & Marzari, N.
(2015).
First-principles investigation of organic photovoltaic materials C60, C70, [C60]PCBM, and bis-[C60]PCBM using a many-body G0W0-Lanczos approach. 91(24), 245105.
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Li, H., Contryman, A. W., Qian, X., Ardakani, S. M., Gong, Y., Wang, X., ... Zheng, X.
(2015).
Optoelectronic crystal of artificial atoms in strain-textured molybdenum disulphide. Nature Communications.
6(1), 7381.
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Mao, Y., Li, J. u., Lo, Y., Qian, X., & Ma, E.
(2015).
Stress-driven crystallization via shear-diffusion transformations in a metallic glass at very low temperatures. 91(21), 214103.
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Liu, J., Qian, X., & Fu, L.
(2015).
Crystal field effect induced topological crystalline insulators in monolayer IV-VI semiconductors. Nano Letters.
15(4), 2657-2661.
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Qian, X., Fu, L., & Li, J. u.
(2015).
Topological crystalline insulator nanomembrane with strain-tunable band gap. 8(3), 967-979.
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Kushima, A., Qian, X., Zhao, P., Zhang, S., & Li, J. u.
(2015).
Ripplocations in van der Waals layers. Nano Letters.
15(2), 1302-1308.
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Qian, X., Liu, J., Fu, L., & Li, J. u.
(2014).
Solid state theory. Quantum spin Hall effect in two-dimensional transition metal dichalcogenides. Science.
346(6215), 1344-1347.
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Li, W., Qian, X., & Li, J. u.
(2014).
Envelope function method for electrons in slowly-varying inhomogeneously deformed crystals. Journal of Physics Condensed Matter.
26(45), 455801-455801.
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Wu, M., Qian, X., & Li, J. u.
(2014).
Tunable exciton funnel using Moir superlattice in twisted van der Waals bilayer. Nano Letters.
14(9), 5350-5357.
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Niu, J., Kushima, A., Qian, X., Qi, L., Xiang, K., Chiang, Y., & Li, J. u.
(2014).
In situ observation of random solid solution zone in LiFePO electrode. Nano Letters.
14(7), 4005-4010.
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Nukala, P., Agarwal, R., Qian, X., Jang, M. H., Dhara, S., Kumar, K., ... Agarwal, R.
(2014).
Direct observation of metal-insulator transition in single-crystalline germanium telluride nanowire memory devices prior to amorphization. 14(4), 2201-2209.
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Qi, J., Li, X., Qian, X., & Feng, J. i.
(2013).
Bandgap engineering of rippled MoS2 monolayer under external electric field. Applied Physics Letters.
102(17), 173112.
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Huang, J. Y., Lo, Y., Niu, J. J., Kushima, A., Qian, X., Zhong, L. i., Mao, S. X., & Li, J. u.
(2013).
Nanowire liquid pumps. Nature Nanotechnology.
8(4), 277-281.
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Feng, J. i., Qian, X., Huang, C., & Li, J. u.
(2012).
Strain-engineered artificial atom as a broad-spectrum solar energy funnel. 6(12), 865-871.
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Feng, J. i., Li, W., Qian, X., Qi, J., Qi, L., & Li, J. u.
(2012).
Patterning of graphene. Nanoscale.
4(16), 4883-4899.
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Qi, J., Qian, X., Qi, L., Feng, J. i., Shi, D., & Li, J. u.
(2012).
Strain-engineering of band gaps in piezoelectric boron nitride nanoribbons. Nano Letters.
12(3), 1224-1228.
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Liu, Y., Zheng, H. e., Liu, X. H., Huang, S., Zhu, T., Wang, J., ... Huang, J. Y.
(2011).
Lithiation-induced embrittlement of multiwalled carbon nanotubes. ACS Nano.
5(9), 7245-7253.
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Qian, X., Umari, P., & Marzari, N.
(2011).
Photoelectron properties of DNA and RNA bases from many-body perturbation theory. 84(7), 075103.
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Li, J. u., Kushima, A., Eapen, J., Lin, X. i., Qian, X., Mauro, J. C., Diep, P., & Yip, S.
(2011).
Computing the viscosity of supercooled liquids: Markov Network model. PLoS ONE.
6(3), e17909-e17909.
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Umari, P., Qian, X., Marzari, N., Stenuit, G., Giacomazzi, L., & Baroni, S.
(2011).
Accelerating GW calculations with optimal polarizability basis. Physica Status Solidi (B): Basic Research.
248(3), 527-536.
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Qian, X., Li, J. u., & Yip, S.
(2010).
Calculating phase-coherent quantum transport in nanoelectronics with ab initio quasiatomic orbital basis set. Physical Review B: Condensed Matter and Materials Physics.
82(19), 195442.
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Kushima, A., Lin, X. i., Li, J. u., Qian, X., Eapen, J., Mauro, J. C., Diep, P., & Yip, S.
(2009).
Computing the viscosity of supercooled liquids. II. Silica and strong-fragile crossover behavior. Journal of Chemical Physics.
131(16), 164505-164505.
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Kushima, A., Lin, X. i., Li, J. u., Eapen, J., Mauro, J. C., Qian, X., Diep, P., & Yip, S.
(2009).
Computing the viscosity of supercooled liquids. Journal of Chemical Physics.
130(22), 224504-224504.
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Qian, X., Li, J. u., Qi, L., Wang, C., Chan, T., Yao, Y., Ho, K., & Yip, S.
(2008).
Quasiatomic orbitals for ab initio tight-binding analysis. 78(24), 245112.
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Qi, L., Qian, X., & Li, J. u.
(2008).
Near neutrality of an oxygen molecule adsorbed on a Pt(111) surface. 101(14), 146101.
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Chan, T., Yao, Y. X., Wang, C. Z., Lu, W. C., Li, J., Qian, X. F., Yip, S., & Ho, K. M.
(2007).
Highly localized quasiatomic minimal basis orbitals for Mo from ab initio calculations. Physical review B (PRB).
76(20), 205119.
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Qian, X. F., Li, J., Lin, X., & Yip, S.
(2006).
Time-dependent density functional theory with ultrasoft pseudopotentials: Real-time electron propagation across a molecular junction. Physical review B (PRB).
73(3), 035408.
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Chang, J. P., Zhu, T., Li, J., Lin, X., Qian, X. F., & Yip, S.
(2004).
Multiscale modeling of defect nucleation and reaction: Bulk to nanostructures. Solid Mechanics and Its Applications.
115, 223-233.
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Woo, K. S., Zhang, A., Arabelo, A., Brown, T. D., Park, M., Talin, A. A., ... Kumar, S.
(2024).
True random number generation using the spin crossover in LaCoO3. Nature Communications.
15(1), 4656.
-
chapter
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Umari, P., Qian, X., Marzari, N., Stenuit, G., Giacomazzi, L., & Baroni, S.
(2011).
Accelerating GW Calculations with Optimal Polarizability Basis. ADVANCED CALCULATIONS FOR DEFECTS IN MATERIALS: ELECTRONIC STRUCTURE METHODS.
(pp. 61-78).
Wiley.
-
Umari, P., Qian, X., Marzari, N., Stenuit, G., Giacomazzi, L., & Baroni, S.
(2011).
Accelerating GW Calculations with Optimal Polarizability Basis. ADVANCED CALCULATIONS FOR DEFECTS IN MATERIALS: ELECTRONIC STRUCTURE METHODS.
(pp. 61-78).
Wiley.
-
conference paper
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Yu, H., Liu, M., Luo, Y., Strasser, A., Qian, X., Qian, X., & Ji, S.
(2023).
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
-
Yang, N., Lin, Y. C., Chuu, C., Rahman, S., Wu, T., Chou, A., ... Wang, H.
(2022).
Computational Screening and Multiscale Simulation of Barrier-Free Contacts for 2D Semiconductor pFETs. 28.1.1-28.1.4.
-
Xiang, Z., Fan, M., Tovar, G. V., Trehem, W., Yoon, B., Qian, X., Arroyave, R., & Qian, X.
(2021).
Physics-constrained Automatic Feature Engineering for Predictive Modeling in Materials Science. Proceedings of the ... AAAI Conference on Artificial Intelligence. AAAI Conference on Artificial Intelligence.
10414-10421.
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Qi, L., Qian, X., & Li, J.
(2009).
Electronic structure of intermediates in oxygen reduction reaction on Pt electrode. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
-
Yu, H., Liu, M., Luo, Y., Strasser, A., Qian, X., Qian, X., & Ji, S.
(2023).
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
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institutional repository document
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Zhang, X., Wang, L., Helwig, J., Luo, Y., Fu, C., Xie, Y., ... Ji, S.
(2023).
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
-
Wang, H., Tang, X., Xu, H., Li, J. u., & Qian, X.
(2022).
Generalized Wilson Loop Method for Nonlinear Light-Matter Interaction
-
Wang, H., & Qian, X.
(2020).
Giant nonlinear photocurrent in $mathcal{PT}$-symmetric magnetic topological quantum materials
-
Wang, H., & Qian, X.
(2019).
Ferroelectric nonlinear anomalous Hall effect in few-layer WTe$_2$
-
Wang, H., & Qian, X.
(2018).
Quantum Nonlinear Ferroic Optical Hall Effect
-
Wang, H., Qi, J., & Qian, X.
(2018).
Electrically-Tunable High Curie Temperature Two-Dimensional Ferromagnetism in Van der Waals Layered Crystals
-
Qi, J., Wang, H., Chen, X., & Qian, X.
(2018).
Two-Dimensional Multiferroic Semiconductors with Coexisting Ferroelectricity and Ferromagnetism
-
Wang, H., & Qian, X.
(2016).
Two-Dimensional Multiferroics: Ferroelasticity, Ferroelectricity, Domain Wall, and Potential Mechano-Opto-Electronic Applications
-
Liu, J., Wang, H., Fang, C., Fu, L., & Qian, X.
(2016).
Van der Waals Stacking Induced Topological Phase Transition in Layered Ternary Transition Metal Chalcogenides
-
Qian, X., Umari, P., & Marzari, N.
(2014).
First-principles investigation of organic photovoltaic materials C$_{60}$, C$_{70}$, [C$_{60}$]PCBM, and bis-[C$_{60}$]PCBM using a many-body $G_0W_0$-Lanczos approach
-
Qian, X., Liu, J., Fu, L., & Li, J. u.
(2014).
Quantum Spin Hall Effect and Topological Field Effect Transistor in Two-Dimensional Transition Metal Dichalcogenides
-
Qian, X., Fu, L., & Li, J. u.
(2014).
Topological Crystalline Insulator Nanomembrane with Strain-Tunable Band Gap
-
Qian, X., Umari, P., & Marzari, N.
(2011).
Photoelectron properties of DNA and RNA bases from many-body perturbation theory
-
Qian, X., Li, J. u., Lin, X. i., & Yip, S.
(2005).
Time-Dependent Density Functional Theory with Ultrasoft Pseudopotential: Real-Time Electron Propagation across Molecular Junction
-
Zhang, X., Wang, L., Helwig, J., Luo, Y., Fu, C., Xie, Y., ... Ji, S.
(2023).
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
Research
principal investigator on
co-principal investigator on
- Elements: Software: Autonomous, Robust, and Optimal In-Silico Experimental Design Platform for Accelerating Innovations in Materials Discovery awarded by National Science Foundation - (Arlington, Virginia, United States) 2018 - 2021
- DMREF: Accelerating the Development of High Temperature Shape Memory Alloys awarded by National Science Foundation - (Arlington, Virginia, United States) 2015 - 2019
investigator on
Teaching
teaching activities
- ENGR385 Prob For Coop Students Instructor
- MSEN222 Materials Science Instructor
- MSEN325 Properties Functional Matls Instructor
- MSEN399 High Impact Prof Development Instructor
- MSEN489 Sptp: Quantum Mech Mtrls Sci Instructor
- MSEN491 Hnr-research Instructor
- MSEN601 Fndmtl Matls Science Eng Instructor
- MSEN604 Quantum Mech Mtrls Sci Instructor
- MSEN681 Seminar Instructor
- MSEN685 Directed Studies Instructor
- MSEN691 Research Instructor
- PHYS491 Hnr-research Instructor
Background
education and training
- Ph.D. in Nuclear Science and Engineering, Massachusetts Institute of Technology - (Cambridge, Massachusetts, United States) 2008
- B.S. in Engineering Physics, Tsinghua University - (Beijing, Beijing, China) 2001
awards and honors
Contact
first name
- Xiaofeng
has last name
- Qian
mailing address
-
Texas A&M University
Materials Science & Engineering
3003 TAMU
College Station, TX 77843-3003
USA
Other
In the News
- Storing data on 2D metals News Release
- feng@tamu.edu