For a complete list of publications, please see Google Scholar.

*corresponding author (last author unless otherwise indicated)

†equal contribution


  1. V. Pareek, D. Bacon, X. Zhu, Y.-H. Chan, F. Bussolotti, N. S. Chan, J. P. Urquizo, K. Watanabe, T. Taniguchi, M. K. L. Man, J. Madéo, D. Y. Qiu, K. E. J. Goh, F. H. Jornada, K. M. Dani, "Driving non-trivial quantum phases in conventional semiconductors with intense excitonic fields," arXiv:2403.08725 (2024).

  2. Publications

  3. S. Li†, X. Xu†, C.A. Kocoj, C. Zhou, Y. Li, D. Chen, J.A. Bennett, S. Liu, L. Quan, M. Liu, D.Y. Qiu*, P. Guo*, "Large exchange-driven intrinsic circular dichroism of a chiral 2D hybrid perovskite," Nature Communications 15, 2573 (2024).

  4. G. Cohen, J.B. Haber, J.B. Neaton, D.Y. Qiu*, S. Refaely-Abramson*, "Phonon-driven femtosecond dynamics of excitons in crystalline pentacene from first principles," Phys. Rev. Lett. 132, 126902 (2024).

  5. 3D. Chen, S.B. Anantharaman, J. Wu, D.Y. Qiu, D. Jariwala, P. Guo, “Optical spectroscopic detection of Schottky barrier height at a two-dimensional transition-metal dichalcogenide/metal interface,” Nanoscale 16, 5169-5176 (2024).
  6. M.Gu*, Y. Lin, V. Chang Lee, D.Y. Qiu*, "Probabilistic forecast of nonlinear dynamical systems with uncertainty quantification," Physica D: Nonlinear Phenomena 457, 133928 (2024).

  7. A.M. Alvertis, A. Champagne, M. Del Ben, F.H. da Jornada, D.Y. Qiu, M.R. Filip, J.B. Neaton, "Importance of nonuniform Brillouin zone sampling for first-principles calculations of exciton binding energies in semiconductors and insulators," Physical Review B 108, 235117 (2023).

  8. S. Stolz, D. Wang, B. Hou, A. Kozhakhmetov, C. Dong, O. Groning, J.A. Robinson, D.Y. Qiu, B. Schuler, "Spin-Stabilization by Coulomb Blockade in a Vanadium Dimer in WSe2," ACS Nano 17, 23422–23429 (2023).

  9. J.B. Haber, D.Y. Qiu, F.H. da Jornada, J.B. Neaton, "Maximally-localized Wannier functions for excitons in solids," Physical Review B 108, 125118 (2023).

  10. Y.H. Chan*, D.Y. Qiu*, F.H. da Jornada*, S.G. Louie*, "Giant self-driven exciton-Floquet signatures in time-resolved photoemission spectroscopy of MoS2 from time-dependent GW approach," aProceedings of the National Academy of Science 120, e2301957120(2023).

  11. B. Hou, D. Wang, B. A. Barker, D. Y. Qiu, "Exchange-Driven Intermixing of Bulk and Topological Surface State by Chiral Excitons in Bi2Se3," Physical Review Letters, 130, 216402 (2023).

  12. J. McArthur, M. R. Filip, D. Y. Qiu, "Minimal Molecular Building Blocks for Screening in Quasi-Two-Dimensional Organic–Inorganic Lead-Halide Perovskites," Nano Letters, 23, 3796-3902 (2023).

  13. A. Champagne, J .B. Haber, S. Pokawanvit, D. Y. Qiu, S. Biswas, H. A. Atwater, F.H. da Jornada, J.B. Neaton, "Quasiparticle and Optical Properties of Carrier-Doped Monolayer MoTe2 from First Principles," Nano Letters, 23, 4274-4281 (2023).

  14. Biswas, A. Champagne, J. B. Haber, S. Pokawanvit, J. Wong, H. Akbari, S. Krylyuk, K. Watanabe, T. Taniguchi, A. V. Davydov, Z. Y. Al Balushi, D. Y. Qiu, F. H. da Jornada, J. B. Neaton, H. A. Atwater, "Rydberg Excitons in Monolayer MoTe2," ACS Nano, 17, 7685–7694 (2023).

  15. Y.-H. Chan*, J. B. Haber, M. H. Naik, J. B. Neaton, D. Y. Qiu*, Felipe H. da Jornada*, Steven G. Louie*, "Exciton Lifetime and Optical Line Width Profile via Exciton–Phonon Interactions: Theory and First-Principles Calculations for Monolayer MoS2," Nano Letters, 23, 3971-3977 (2023).

  16. J. Yin, Y. Chan, F. da Jornada, D. Y. Qiu, C. Yang, S.G. Louie, "Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition," Journal of Computational Physics, 477, 11909 (2023).

  17. T. Amit, D. Hernangómez-Pérez, G. Cohen, D. Y. Qiu, S. Refaely-Abramson, “Tunable magneto-optical properties in MoS2 via defect-induced exciton transitions,” Physical Review B, 106, L161407 (2022).

  18. J. Yin, Y. Chan, F. da Jornada, D. Y. Qiu, S.G. Louie, C. Yang, "Using Dynamic Model Decomposition to Predict the Dynamics of a Two-time Non-equilibrium Green's function," Journal of Computational Science, 64, 101843 (2022).

  19. L. Yue, R. Hollinger, C.B. Uzundal, B. Nebgen, Z. Gan, A. George, C. Spielmann, D. Kartashov, A. Turchanin, D.Y. Qiu, M.B. Gaarde, M. Zuerch, "Probing of multi-band effects in high-harmonic generation in monolayer MoS2." Physical Review Letters, 129, 147401. (2022)

  20. M.R. Filip, D.Y. Qiu, M. Del Ben and J.B. Neaton "Screening of Excitons by Organic Cations in Quasi-Two-Dimensional Organic–Inorganic Lead-Halide Perovskites." Nano Letters, 22, 4870-4878 (2022).

  21. M. Wang, A. Kumar, H. Dong, J.M. Woods, J.V. Pondick, S. Xu, P. Guo, D.Y. Qiu, J.J. Cha, "A Gapped Phase in Semimetallic Td-WTe2 Induced by Lithium Intercalation." Advanced Materials, 220861 (2022).

  22. F. Tang, Z. Li, C. Zhang, S.G. Louie, R. Car, D.Y. Qiu*, X. Wu*, "Many-Body Effects in the X-ray Absorption Spectra of Liquid Water." Proceedings of the National Academy of Sciences, 119, e2201258119 (2022).

  23. P. Wang, W. Lee, P. Corbett, W.H. Koll, N.M. Vu, D.A. Laleyan, Q. Wen, Y. Wu, A. Pandely, J. Gim, D. Wang, D.Y. Qiu, R. Hovden, M. Kira, J.T. Heron, J.A. Gupta, A. Kioupakis, Z. Mi, "Scalable Synthesis of Monolayer Boron Nitride on Graphene," Advanced Materials (2022).

  24. J.V. Pondick, S. Yazdani, A. Kumar, D. J. Hyneck. J.L. Hart, M. Wang, D.Y. Qiu, J.J. Cha, "Thickness-dependent phase transition kinetics in lithium-intercalated MoS2," 2D Materials, 9, 025009 (2022).

  25. J.V. Pondick, A. Kumar, M. Wang, S. Yazdani, J.M. Woods, D.Y. Qiu, J.J. Cha, "Heterointerface control over lithium-induced phase transitions in MoS2 heterostructures," ACS Appl. Nano Mater. , 4, 14105–14114 (2021).

  26. C. Zhang, F. Tang, M. Chen, J. Xu, L. Zhang, D.Y. Qiu, J.P. Perdew, M.L. Klein, X. Wu, "Modeling liquid water by climbing up Jacob's ladder in density functional theory facilitated by using deep neural network potentials," J. Phys. Chem. B, 125, 11444-11456 (2021).

  27. K.Q. Lin, C.S. Ong, S. Bange, P.E. Faria Jr, B. Peng, J.D. Ziegler, J. Zipfel, C. Bäuml, N. Paradiso, K. Watanabe, T. Taniguchi, C. Strunk, B. Monserrat, J. Fabian, A. Chernikov, D.Y. Qiu, S.G. Louie, J.M. Lupton, "Narrow-band high-lying excitons with negative-mass electrons in monolayer WSe2," Nature Communications, 12, 5500 (2021).

  28. D.Y. Qiu*, G. Cohen, D. Novichkova, S. Refaely-Abramson*, "Signatures of Dimensionality and Symmetry in Exciton Bandstructure: Consequences for Time-Evolution," Nano Letters, 21, 7644-7650 (2021).

  29. F. Tang, J. Xu, D.Y. Qiu*, X. Wu*, "Nuclear quantum effects on the quasiparticle properties of the chloride anion aqueous solution within the GW approximation," Phys. Rev. B, 104, 035117 (2021).

  30. E. Mitterreiter, B. Schuler, A. Micevic, D. Hernangómez-Pérez, K. Barthelmi, K.A. Cochrane, J. Kiemle, F. Sigger, J. Klein, E. Wong, E.S. Barnard, K. Watanabe, T. Taniguchi, M. Lorke, F. Jahnke, J.J. Finley, A.M. Schwartzberg, S. Refaely-Abramson, D.Y. Qiu, A.W. Holleitner, A. Weber-Bargioni, C. Kastl, "The role of chalcogen vacancies for atomic defect emission in MoS2," Nature Communications, 12, 3822 (2021).

  31. Y. H. Chan, D. Y. Qiu, F. H. da Jornada, and S. G. Louie, “Giant exciton-enhanced shift currents and direct current conduction with subbandgap photo excitations produced by many-electron interactions.” PNAS, 118 (2021) .

  32. S.G. Louie*, Y.-H. Chan, F.H. da Jornada, Z. Li, and D.Y. Qiu, "Discovering and understanding materials through computation", Nature Materials, 20, 728–735 (2021).

  33. H.M. Bretscher, Z. Li, J. Xiao, D.Y. Qiu, S. Refaely-Abramson, J. Alexander-Webber, A.O.A Tanoh, Y. Fan, G. Delport, C. Williams, S.D Stranks, S. Hofmann, J.B Neaton, S.G. Louie, A. Rao, "Rational Passivation of Sulfur Vacancy Defects in Two-Dimensional Transition Metal Dichalcogenides," ACS Nano, 15, 8780-8789 (2021).

  34. S. Yazdani, J.V. Pondick, A. Kumar, M. Yarali, J.M. Woods, D.J. Hynek, D.Y. Qiu, J.J. Cha, "Heterointerface effects on lithium-induced phase transitions in intercalated MoS2," ACS Appl. Mater. Interfaces, 13, 10603 (2021).

  35. S. Yoon, T. Kim, S. Seo, S.-H. Shin, S.-B. Song, B. J. Kim, K. Watanabe, T. Taniguchi, G.-H. Lee, M. Jo, D.Y. Qiu*, J. Kim* "Electrical control of anisotropic and tightly bound excitons in bilayer phosphorene," Physical Review B, 103, L041407 (2021).

  36. D.Y. Qiu, F.H. da Jornada, and S. G. Louie, "Solving the Bethe-Salpeter equation on a subspace: Approximations and consequences for low-dimensional materials," Physical Review B, 103, 045117 (2021).

  37. D.Y. Qiu, S. Coh, M.L. Cohen, and S. G. Louie, "Comparison of GW band structure to semiempirical approach for an FeSe monolayer," Physical Review B, 101, 235154 (2020).

  38. S. Barja†, S. Refaely-Abramson†, B. Schuler†, D. Y. Qiu†, A. Pulkin, S. Wickenburg, H. Ryu, M. M. Ugeda, C. Kastl, C. Chen, C. Hwang, A. Schwartzberg, S. Aloni, S.-K. Mo, D. F. Ogletree, M. F. Crommie, O. Yazyev, S. G. Louie, J. B. Neaton, and A. Weber-Bargioni, “Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides,” Nature Communications, 10, 3382 (2019).

  39. B. Schuler, D. Y. Qiu, S. Refaely-Abramson, C. Kastl, C.T. Chen, S. Barja, R.J. Koch, D.F. Ogletree, S. Aloni, A.M. Schwartzberg, S. G. Louie, J. B. Neaton, and A. Weber-Bargioni, “Large Spin-Orbit Splitting of Deep In-Gap Defect States of Engineered Sulfur Vacancies in Monolayer WS2,” Physical Review Letters, 123, 076801 (2019).

  40. M.I.B. Utama, H. Kleemann, W. Zhao, C.S. Ong, F. H. da Jornada, D. Y. Qiu,  H. Cai, H. Li, R. T. Kou, S. Zhao, S. Wang, K. Watanabe, T. Taniguchi, S. Tongay, A. Zettl, S. G. Louie, and F. Wang, “Dielectric-Defined Lateral Heterojunction in a Monolayer Semiconductor,”  Nature Electronics, 2, 60-65 (2019).

  41. S. Refaely-Abramson*, D. Y. Qiu*, S. G. Louie, and J.B. Neaton, “Defect-induced modification of low-lying excitons and valley selectivity in monolayer transition metal dichalcogenides,” Physical Review Letters, 121, 167402 (2018).

  42. G. Antonius, D. Y. Qiu, and S. G. Louie, “Orbital Symmetry and the Optical Response of Single-layer Monochalcogenides,” Nano Letters, 18, 1925-1929 (2018)

  43. A. Yan, C. S. Ong, D. Y. Qiu, C. Ohpus, J. Ciston, C. Merino, S. G. Louie, and A. Zettl, “Dynamics of Symmetry-Breaking Stacking Boundaries in MoS2,” J. Phys. Chem. C, 121, 22559-22566 (2017).

  44. D. Y. Qiu, F. H. da Jornada, and S. G. Louie, “Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra of Few-Layer Black-Phosphorus,” Nano Letters, 17, 4706-4712 (2017).

  45. F. H. da Jornada†, D. Y. Qiu†, and S. G. Louie, “Non-uniform sampling schemes of the Brillouin zone for many-electron perturbation-theory calculations in reduced dimensionality,” Physical Review B, 95, 035109 (2017).

  46. K. Hippalgaonkar, Y. Wang, Y. Ye, D. Y. Qiu, H. Zhu, Y. Wang, J. Moore, S.G. Louie, and X. Zhang, “High Thermoelectric Powerfactor in 2D Crystals of MoS2,” Physical Review B, 95, 115407 (2017).

  47. L. Li, J. Kim, C. Jin, G. Ye, D. Y. Qiu, F. H. da Jornada, Z. Shi, L. Chen, Z. Zhang, F. Yang, K. Watanabe, T. Taniguchi, W. Ren, S. G Louie, X. Chen, Y. Zhang, and F. Wang, “Direct Observation of Layer-Dependent Electronic Structure in Phosphorene,” Nature Nanotechnology, 12, 21-25 (2017).

  48. T. Cao, Z. Li, D. Y. Qiu, and S. G. Louie, “Gate Switchable Transport and Optical Anisotropy in 90° Twisted Bilayer Black Phosphorus,” Nano Letters, 16, 5542–5546 (2016).

  49. D. Y. Qiu, F. H. da Jornada, and S. G. Louie, ” Screening and many-body effects in two-dimensional crystals: Monolayer MoS2,” Physical Review B, 93, 235435 (2016).

  50. D. P. Kumah, M. Dogan, J. H. Ngai, D. Y. Qiu, Z. Zhang, D. Su, E. D. Specht, S. Ismail-Beigi, C. H. Ahn, and F. J. Walker, “Engineered Unique Elastic Modes at a BaTiO3/(2×1)−Ge(001) Interface,” Physical Review Letters, 116, 106101 (2016).

  51. D. Y. Qiu, T. Cao, and S. G. Louie, “Nonanalyticity, valley quantum phases, and lightlike exciton dispersion in monolayer transition metal dichalcogenides: Theory and first-principles calculations,” Physical Review Letters, 115, 176801 (2015).

  52. A. J. Bradley, M. M. Ugeda, F. H. da Jornada, D. Y. Qiu, W. Ruan, W. Zhang, S. Wickenburg, A. Riss, J. Lu, S.-K. Mo, Z. Hussain, Z.-X. Shen, S. G Louie, and M. F. Crommie, “Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe2 Nanostructures,” Nano Letters, 15, 2594-2599 (2015).

  53. Z. Zhou, M. Trassin, Y. Gao, Y. Gao, D. Y. Qiu, K. Ashraf, T. Nan, X. Yang, S. R Bowden, D. T. Pierce, M. D. Stiles, J Unguris, M. Liu, B. M Howe, G. J. Brown, S. Salahuddin, R. Ramesh, and N. X Sun, “Probing electric field control of magnetism using ferromagnetic resonance,” Nature Communications, 6, 6082 (2015).

  54. M. M. Ugeda, A. J. Bradley, S.-F. Shi, F. H. da Jornada, Y. Zhang, D. Y. Qiu, W. Ruan, S.-K. Mo, Z. Hussain, Z.-X. Shen, F. Wang, S. G. Louie, and M. F. Crommie , “Giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor,” Nature Materials, 13, 1091-1095 (2014).

  55. K. Liu, L. Zhang, T. Cao, C. Jin, D. Y. Qiu, Q. Zhou, A. Zettl, P. Yang, S. G. Louie, and F. Wang, “Evolution of interlayer coupling in twisted molybdenum disulfide bilayers,” Nature Communications, 5, 4966 (2014).

  56. D. Y. Qiu, F. H. da Jornada, and S. G. Louie , “Optical spectrum of MoS2: many-body effects and diversity of exciton states,” Physical Review Letters, 111, 216805 (2013). 

  57. D. Y. Qiu, K. Ashraf, and S. Salahuddin , “Nature of magnetic domains in an exchange coupled BiFeO3/CoFe heterostructure,” Applied Physics Letters, 102, 112902 (2013.)

  58. P.-O. Jubert, B. Biskeborn, D. Y. Qiu, A. Matsumoto, H. Noguchi, O. Shimizu , “Noise and recording properties of barium-ferrite particulate media studied by micromagnetic modeling,” IEEE Transactions on Magnetics, 47, 386-394 (2011).

*corresponding author (last author unless otherwise indicated)

†equal contribution