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UTK-MRSEC Publications

2025

IRG 1:

  • Liu, Y., & Kalinin, S. V. (2025). Pareto-optimal experimentation: Human-guided multi-objective Bayesian optimization in scanning probe microscopy. Nano Letters, 25. https://doi.org/10.1021/acs.nanolett.5c05373
  • Ahmadi, M., & Kalinin, S. V. (2025). Learning the flow from the get-go. Nature Chemical Engineering, 2, 472–473. https://doi.org/10.1038/s44286-025-00261-3
  • Zhao, H., Millan‑Solsona, R., Checa, M., Collins, L., Brown, S. R., Morrell‑Falvey, J. L., & Biswas, A. (2025). A bi‑channel aided stitching of atomic force microscopy images. Scientific Reports, 15, 41897. https://doi.org/10.1038/s41598-025-25855-y
  • Thamm, M., Radhakrishnan, H., Barghathi, H., Herdman, C. M., Biswas, A., Rosenow, B., & Del Maestro, A. (2025). Berezinskii‑Kosterlitz‑Thouless renormalization group flow at a quantum phase transition. Physical Review Letters, 135(11), 116002. https://doi.org/10.1103/4xdz-5vq7
  • Slautin, B. N., Liu, Y., Dec, J., Shvartsman, V. V., Lupascu, D. C., Ziatdinov, M. A., & Kalinin, S. V. (2025). Measurements with noise: Bayesian optimization for co‑optimizing noise and property discovery in automated experiments. Digital Discovery, 4, 1066–1074. https://doi.org/10.1039/d4dd00391h
  • Bulanadi, R., Chowdhury, M. H. J., Funakubo, H., Ziatdinov, M., Vasudevan, R., Biswas, A., & Liu, Y. (2025). Beyond optimization: Exploring novelty discovery in autonomous experiments. ACS Nanoscience Au, 5, Article 5c00106. https://doi.org/10.1021/acsnanoscienceau.5c00106
  • Biswas, A., Vasudevan, R., Pant, R., Takeuchi, I., Funakubo, H., & Liu, Y. (2025). SANE: Strategic autonomous non‑smooth exploration for multiple optima discovery in multi‑modal and non‑differentiable black‑box functions. Digital Discovery, 4(3), 853–867. https://doi.org/10.1039/d4dd00299g
  • Xi, T., Jiang, H., Li, J., He, Y., Gu, Y., Fox, C., Primeau, L., Mao, Y., Rollins, J., Taniguchi, T., Watanabe, K., van der Weide, D., Rhodes, D., Zhang, Y., Wang, Y., & Xiao, J. (2025). Terahertz sensing based on the nonlinear electrodynamics of the two‑dimensional correlated topological semimetal TaIrTe₄. Nature Electronics, 8, 578–586. https://doi.org/10.1038/s41928-025-01397-z
  • Choi, Y., Lee, S., Shin, D., Sim, S., Jung, M.‑H., Wulferding, D., Kim, M., Eom, J., Mostafa, M., Ko, W., Cha, S. N., Hwang, J., Jeong, H. Y., Kim, K. K., & Choi, W. S. (2025). Universal fabrication of graphene/perovskite oxide hybrid heterostructures. Small Structures. https://doi.org/10.1002/sstr.202500613
  • Tang, J., Ding, T. S., Wang, C., Mao, N., Belosevich, V., Zhang, Y., Qian, X., & Ma, Q. (2025). Quantum spin Hall effects in van der Waals materials. Advanced Quantum Technologies, 8(11), e00327. https://doi.org/10.1002/qute.202500327
  • Venkatesan, B., Guan, S. Y., Chang, J.‑T., Chiu, S. B., Yang, P. Y., Su, C.‑C., Chang, T.‑R., Raju, K., Sankar, R., Fongchaiya, S., Chu, M. W., Chang, C.‑S., Chang, G., Lin, H., Del Maestro, A., Kao, Y.‑J., & Chuang, T.‑M. (2025). Direct visualization of a disorder driven electronic smectic phase in nonsymmorphic square‑net semimetal GdSbTe. npj Quantum Materials, 10(1), 56. https://doi.org/10.1038/s415

IRG2:

  • Windsor, D., & Xu, H. (2024). Treating interactions between polarons and oxygen vacancies in perovskite oxides. Physical Review Materials, 8, 094406. https://doi.org/10.1103/PhysRevMaterials.8.09440
  • Adamson, G., Abeykoon, A. M. M., Arumugam, D., Kwon, G., Lin, C.-H., Zhang, L., Teng, X.,  Liang, T.,  Xu, HX.,  Page, K., Lang, M  (2025). Influence of compositional complexity on amorphization resistance of swift heavy ion irradiated titanate pyrochlores. Inorganic Chemistry, 64  https://doi.org/10.1021/acs.inorgchem.5c04254
  • Rutstrom, D., Stand, L., Windsor, D., Xu, H., Kapusta, M., Melcher, C. L., & Zhuravleva, M. (2024). New ultrafast scintillators with core valence luminescence: Cs₂MgCl₄ and Cs₃MgCl₅. Journal of Materials Chemistry C, 12, 6920–6931. https://doi.org/10.1039/d4tc00877d
  • Li, J. T., & Xu, H. X., . (2025). Dislocation properties in BCC refractory compositionally complex alloys from atomistic simulations. Computational Materials Science, 259. https://doi:10.1016/j.commatsci.2025.113859

UTK-MRSEC Collaborations between the IRG 1 and 2:

  • Siwakoti, P., Gong, D., Pandey, S., Li, J., Lamichhane, U., Potter, M., Wang, Z., Ma, H., Zhang, Z. H., Li, J.,  Primeau, L., Zhang, Y., Meyers, D., Derrico, A. M., Basini, M., Unikandanunni, V., & et al. (2025). Enhancing anomalous Hall effect with suppressed ferromagnetism in the SrTiO₃‑confined bilayer heterostructure of ultrathin SrRuO₃ and SrIrO₃. Applied Materials Today, 47, 102960. https://doi.org/10.1016/j.apmt.2025.102960
  • Jiang, H., Xi, T., Li, J., He, Y., Ma, H., Mao, Y., Tamguchi, T., Watanabe, K., Rhodes, D. R., Zhang, Y., Xiao, J., & Wang, Y. (2025). Probing interplay of topological properties and electron correlation in TaIrTe₄ via nonlinear Hall effect. Nature Communications, 16, 6351. https://doi.org/10.1038/s41467-025-61347-3
  • Mu, Y., Liang, J., Xi, Z., Li, J., Zhou, Y., Shi, L., Lei, L., Yang, S., & Sun, X. (2025). Compositional gradient‑driven design of additively manufactured nickel‑based superalloys for enhanced 900°C strength‑ductility synergy via Ti/Al optimization. Materials Today Communications, 49, 113751. https://doi.org/10.1016/j.mtcomm.2025.113751
  • Raghavan, A., Pratiush, U., Valleti, M., Liu, R. (Yu), Emery, R., Funakubo, H., Liu, Y., Rack, P., & Kalinin, S. (2025). Invariant discovery of features across multiple length scales: Applications in microscopy and autonomous materials characterization. Journal of Applied Physics, 137(3), Article 034901. https://doi.org/10.1063/5.0233070
  • Naamneh, M., O’Quinn, E. C., Paris, E., McNally, D., Tseng, Y., Pudełko, W. R., Gawryluk, D. J., Shamblin, J., Cohen‑Stead, B., Shi, M., Radović, M., Lang, M. K., Schmitt, T., Johnston, S., & Plumb, N. C. (2025). Persistence of small polarons into the superconducting doping range of Ba₁‑ₓKₓBiO₃. Physical Review Research, 7(4), 043082. https://doi.org/10.1103/s3p1-cy1s
  • Slautin, B. N., Liu, Y., Barakati, K., Liu, Y., Emery, R., Hong, S., Dubey, A., Shvartsman, V., Lupascu, D. C., Sanchez, S., Ahmadi, M., Kim, Y., Strelcov, E., Brown, K., Rack, P. D., & Kalinin, S. V. (2025). Materials discovery in combinatorial and high‑throughput synthesis and processing: A new frontier for SPM. Applied Physics Reviews, 12(3), 031321. https://doi.org/10.1063/5.0259851
  • Liu, Y., Proksch, R., Bemis, J., Pratiush, U., Dubey, A., Ahmadi, M., Emery, R., Rack, P. D., Liu, Y.‑C., Liu, Y., Yang, J., & Kalinin, S. V. (2025). Machine learning‑based reward‑driven tuning of scanning probe microscopy: Toward fully automated microscopy. ACS Nano, 19(21), 19659–19669. https://doi.org/10.1021/acsnano.4c18760
  • Emery, R., Puplampu, S. B., Wood, A., Penumadu, D., Lass, E. A., Lasseter, J., Unocic, K. A., Chen, S., Zhao, Y., Zinkle, S. J., Liang, T., Xu, H. X., Gilbert, D. A., Buchanan, C. C., Liaw, P. K., & Rack, P. D. (2025). Thin film combinatorial sputtering of TaTiHfZr refractory compositionally complex alloys for rapid materials discovery. Materials & Design, 250, 113643. https://doi.org/10.1016/j.matdes.2025.113643
  • Kalita, D., Esfandiarpour, A., Jóźwik, I., Zhang, Y., Byggmästar, J., Alava, M. J., Kurpaska, Ł., Weber, W. J., Rack, P. D., & Jagielski, J. (2025). High temperature He bubble evolution and thermal stability of the WTaCrV refractory concentrated solid solution alloy. Materials & Design, 252, 113751. 
  • Kalita, D., Mulewska, K., Jóźwik, I., Zhang, Y., Kurpaska, Ł., Rack, P. D., Weber, W. J., & Jagielski, J. (2025). Effect of Zr addition on the structure, nanomechanical properties, and helium irradiation behavior of the novel MoTaTiV body‑centered cubic concentrated solid solution alloy. Journal of Nuclear Materials, 615, 155994. https://doi.org/10.1016/j.jnucmat.2025.155994

2024

IRG1:

  • Erwin, G., & Del Maestro, A. (2024). Effects of substrate corrugation during helium adsorption on graphene in the grand canonical ensemble. Journal of Low Temperature Physics, 215, 525–540. https://doi.org/10.1007/s10909-024-03156-4
  • Mao, N., Xu, C., Li, J., Bao, T., Liu, P., Xu, Y., Felser, C., Fu, L., & Zhang, Y. (2024). Transfer learning relaxation, electronic structure, and continuum model for twisted bilayer MoTe₂. Communications Physics, 7, Article 262. https://doi.org/10.1038/s42005-024-01754-y
  • Ohno, Y., Del Maestro, A., & Lakoba, T. I. (2024). Efficient simulations of Hartree–Fock equations by an accelerated gradient descent method. Physical Review E, 110, 055304. https://d10.1103

UTK-MRSEC Collaborations between the IRG 1 and 2:

  • Xu, C., Li, J., Xu, Y., Bi, Z., & Zhang, Y. (2024). Maximally localized Wannier functions, interaction models, and fractional quantum anomalous Hall effect in twisted bilayer MoTe₂. Proceedings of the National Academy of Sciences of the United States of America, 121(8), Article 2316749121. https://doi.org/10.1073/pnas.2316749121

2023

IRG1:

  • Xu, F., Sun, Z., Jia, T., Liu, C., Xu, C., Li, C., Gu, Y., Watanabe, K., Taniguchi, T., Tong, B., Jia, J., Shi, Z., Jiang, S., Zhang, Y., Liu, X., & Li, T. (2023). Observation of integer and fractional quantum anomalous Hall effects in twisted bilayer MoTe₂. Physical Review X, 13, 031037. https://doi.org/10.1103/PhysRevX.13.031037
  • oi.org/10.1103/PhysRevE.110.055304
  • Mogi, M., Choi, D., Primeau, L., Lv, B., Azoury, D., Su, Y., Fu, L., Zhang, Y., & Gedik, N. (2024). Direct observation of a photoinduced topological phase transition in Bi‑doped (Pb, Sn)Se. Physical Review Letters, 133(23), 236601. https://doi.org/10.1103/PhysRevLett.133.236601
  • Pate, S. E., Wang, B., Zhang, Y., Shen, B., Liu, E., Martin, I., Jiang, J. S., Zhou, X., Chung, D. Y., Kanatzidis, M. G., Welp, U., Kwok, W. K., & Xiao, Z. L. (2024). Tunable anomalous Hall effect in a Kagomé ferromagnetic Weyl semimetal. Advanced Science, 11(43), Article 2406882. https://doi.org/10.1002/advs.202406882
  • Mozaffari, S., Meier, W. R., Madhogaria, R. P., Peshcherenko, N., Kang, S.‑H., Villanova, J. W., Arachchige, H. W. S., Zheng, G., Zhu, Y., Chen, K.‑W., Jenkins, K. G., Zhang, Y., Yoon, M., Li, L., & Mandrus, D. G. (2024). Universal sublinear resistivity in vanadium kagome materials hosting charge density waves. Physical Review B, 110(3), 035135. https://doi.org/10.1103/PhysRevB.110.035135
  • Miao, H., Bouaziz, J., Fabbris, G., Meier, W. R., Yang, F. Z., Li, H. X., Nelson, C., Vescovo, E., Zhang, S., Christianson, A. D., Lee, H. N., Zhang, Y., Batista, C. D., & Blügel, S. (2024). Spontaneous chirality flipping in an orthogonal spin‑charge ordered topological magnet. Physical Review X, 14(1), 011053. https://doi.org/10.1103/PhysRevX.14.011053

IRG2:

  • Tanveer, R.; Windsor, D.; Drewry, S.; Page, K.; Xu, HX; Keppens, V.; Weber, WJ. (2024). Statistical analysis of serrated flows in CoNiV medium‑entropy alloy. Applied Physics Letters, 124(6), 061903. https://doi.org/10.1063/5.0206254

IRG2:

  • Tanveer, R.; Windsor, D.; Drewry, S.; Page, K.; Xu, HX; Keppens, V.; Weber, WJ. (2024). Statistical analysis of serrated flows in CoNiV medium‑entropy alloy. Applied Physics Letters, 124(6), 061903. https://doi.org/10.1063/5.0206254

UTK-MRSEC Collaborations between the IRG 1 & 2:

  • Liu, Y., Pratiush, U., Bemis, J., Proksch, R., Emery, R., Rack, P. D., Liu, Y.‑C., Udovenko, S., & Kalinin, S. V. (2024). Integration of scanning probe microscope with high‑performance computing: Fixed‑policy and reward‑driven workflows implementation. Review of Scientific Instruments, 95(9), 093701. https://doi.org/10.1063/5.0219990
  • Tang, J., Ding, T. S., Chen, H., Gao, A., Qian, T., Huang, Z., Sun, Z., Han, X., Strasser, A., Li, J., Geiwitz, M., Shehabeldin, M., Belosevich, V., Wang, Z., Wang, Y., Watanabe, K., Taniguchi, T., Bell, D. C., Wang, Z., Fu, L., Zhang, Y., Qian, X., Burch, K. S., Shi, Y., Ni, N., Chang, G., Xu, S.‑Y., & Ma, Q. (2024). Dual quantum spin Hall insulator by density‑tuned correlations in TaIrTe₄. Nature, 628, 515–521. https://doi.org/10.1038/s41586‑024‑07211‑8