Publications

Topological Materials, Ultrafast Dynamics, Quantum Computing

[T.7] T. Jiang†, J. Wang, Y. Yao. (2026). CDW Gap Collapse and Weyl State Restoration in (TaSe4)2I via Coherent Phonons: A First-Principles Study. arXiv preprint arXiv:2602.07897.

[T.6] D. Cheng*, T. Jiang*, F. Zhang, G. Gu, L. Luo, C. Huang, B. Song, M. Mootz, A. Khatri, J.M. Park, Q. Li, Y. Yao, J. Wang. (2025). Revealing Fano resonance in Dirac material ZrTe5 through Raman scattering. Physical Review B, 112, 075108. (Editors’ Suggestion).

[T.5] B.Q. Song, J.D.H. Smith, T. Jiang, Y.X. Yao, J. Wang. (2025). Quantum geometry embedded in unitarity of evolution: revealing its impacts as quantum oscillation and dephasing in spin resonance and crystal bands. Physical Review B, 111(14), 144305.

[T.4] T. Jiang, J. Rogers, M.S. Frank, O. Christiansen, Y.X. Yao, N. Lanatà. (2024). Error mitigation in variational

quantum eigensolvers using tailored probabilistic machine learning. Physical Review Research, 6(3), 033069.

[T.3] Z. Liu, Y. Shi, T. Jiang, L. Luo, C. Huang, M. Mootz, Z. Song, Y. Yan, Y. Yao, J. Zhao, J. Wang. (2024). Coherent transfer of lattice entropy via extreme nonlinear phononics in metal halide perovskites. PRX Energy, 3, 023009.

[T.2] B. Cheng, D. Cheng, T. Jiang, W. Xia, B.Q. Song, M. Mootz, L. Luo, I.E. Perakis, Y.X. Yao, Y.F. Guo, J. Wang. (2024). Chirality manipulation of ultrafast phase switches in a correlated CDW-Weyl semimetal. Nature Communications, 15(1), 785.

[T.1] T. Jiang, P.P. Orth, L. Luo, L.L. Wang, F. Zhang, C.Z. Wang, J. Zhao, K.M. Ho, J. Wang, and Y.X. Yao. (2023). Ab-initio Simulations of Coherent Phonon-Induced Pumping of Carriers in ZrTe5. Communications Physics, 6(1), 297.

Defects Physics, 2D materials, Catalysis Science

[D.8] T. Jiang*, D. Le*, K.L. Chagoya, D.J. Nash, T.S. Rahman, R.G. Blair. (2025). Catalytic reduction of carbon dioxide to methanol over defect-laden hexagonal boron nitride: insights from theory. Journal of Physics: Condensed Matter, 37, 135201.

[D.7] T. Jiang*, Y. Li*, Y. Tang*, S. Zhang*, D. Le, T.S. Rahman, and F.F. Tao. (2024). Breaking continuously packed bimetallic sites to single dispersion on nonmetallic support for efficient hydrogen production. ACS Applied Materials & Interfaces, 16(17), pp.21757-21770.

[D.6] T. Jiang, T.B. Rawal, D. Le, and T.S. Rahman. (2021). Syngas Molecules as Probes for Defects in 2D Hexagonal Boron Nitride: Their Adsorption and Vibrations. Physical Chemistry Chemical Physics, 23, 7988-8001.

[D.5] K. Almeida, K.L. Chagoya, A. Felix, T. Jiang, D. Le, T.B. Rawal, P.E. Evans, et al. (2021). Methanol carbonylation to acetaldehyde on Au particles supported by single-layer MoS2 grown on silica. Journal of Physics: Condensed Matter, 34(10), 104005.

[D.4] K.L. Chagoya, D.J. Nash, T. Jiang, D. Le, S. Alayoglu, K.B. Idrees, X. Zhang, O.K. Farha, J.K. Harper, T.S. Rahman, and R.G. Blair. (2021). Mechanically Enhanced Catalytic Reduction of Carbon Dioxide over Defect Hexagonal Boron Nitride. ACS Sustainable Chemistry & Engineering, 9(7), 2447-2455.

[D.3] T. Jiang, D. Le, and T.S. Rahman. (2020). MoS2-supported Au31 for CO hydrogenation: A first-principle study. Journal of Vacuum Science & Technology A, 38(3), 032201.

[D.2] B.T. Young, M.A.K. Pathan, T. Jiang, D. Le, N. Marrow, T. Nguyen, C.E. Jordan, T.S. Rahman, D.M. Popolan-Vaida, and M.E. Vaida. (2020). Catalytic C2H2 synthesis via low temperature CO hydrogenation on defect-rich 2D-MoS2 and 2D-MoS2 decorated with Mo clusters. The Journal of Chemical Physics, 152, 074706.

[D.1] D.J. Nash, K.L. Chagoya, A. Felix, F.E. Torres-Davila, T. Jiang, D. Le, L. Tetard, T.S. Rahman, and R.G. Blair. (2019). Analysis of the fluorescence of mechanically processed defect-laden hexagonal boron nitride and the role of oxygen in catalyst deactivation. Advances in Applied Ceramics, 118, 153.

Molecular Magnetism, Bulk Magnetism

[M.7] T. Ekanayaka, T. Jiang, E. Delahaye, O. Perez, J.P. Sutter, D. Le, R. Streubel, T.S. Rahman, and P.A. Dowben.

(2023). Evidence of symmetry breaking in a Gd2 di-nuclear molecular polymer. Physical Chemistry Chemical

Physics, 25(8), 6416-6423.

[M.6] J. Shi, D. Le, V. Turkowski, N.U. Din, T. Jiang, Q. Gu, and T.S. Rahman. (2023). Thickness dependence of

superconductivity in FeSe films. The European Physical Journal Plus, 138(6), 1-11.

[M.5] D. Le, T. Jiang, M. Gakiya-Teruya, M. Shatruk, and T.S. Rahman. (2021). On stabilizing spin crossover

molecule [Fe(tBu2qsal)2] on suitable supports: insights from ab initio studies. Journal of Physics: Condensed

Matter, 33(38), 385201.

[M.4] M. Gakiya-Teruya, X. Jiang, D. Le, O. Ungor, A.J. Durrani, J.J. Koptur-Palenchar, J. Jiang,T. Jiang, M.W. Meisel,

H.P. Cheng, and X.G. Zhang. (2021). Asymmetric Design of Spin-Crossover Complexes to Increase the

Volatility for Surface Deposition. Journal of the American Chemical Society, 143(36), 14563-14572.

[M.3] A. Brooks, T. Jiang, S. Liu, D. Le, T.S. Rahman, H.P. Cheng, and X.G. Zhang. (2021). Modeling carrier mobility

in graphene as a sensitive probe of molecular magnets. Physical Review B, 103(24), 245423.

[M.2] R.S. Berkley, Z. Hooshmand, T. Jiang, D. Le, A.F. Hebard, and T.S. Rahman. (2020). Characteristics of

Single-Molecule Magnets ([Mn3]2 Dimers) on Graphene and h-BN. The Journal of Physical Chemistry C,

124(51), 28186-28200.

[M.1] N.U. Din, T. Jiang, S.G. Mirzaeimoghadar, M. Chini, and V. Turkowski. (2020). Electron-electron correlations

and structural, spectral and polarization properties of tetragonal BaTiO3. Journal of Physics: Condensed Matter,

32(47), 475601.