Diana Qiu

Diana Qiu


Qiu Group
Assistant Professor of Mechanical Engineering & Materials Science
Room / Office: Becton 209
Office Address:
15 Prospect Street
New Haven, CT 06511
Mailing Address:
Energy Sciences Institute, Building II, A145 300 Heffernan Drive
West Haven, CT 06516
Email: diana.qiu@yale.edu
  • Ph.D., University of California, Berkeley
  • B.Sc., Yale University


One of the grand challenges of materials research is the ability to engineer and tune quantum degrees of freedom in order to discover new properties and phenomena, as well as to harness the flow of energy, charge, and information. A frontier of this understanding and optimization, which is the central goal of my group, lies in the control of a material's excitations and macroscopic properties at the quantum level through the tuning of light-matter interactions and many-electron correlations. My group uses and develops first principles quantum physics methods, which exploit high-performance computing to calculate many-electron interaction effects and make quantitatively accurate predictions about real materials. We are interested in the discovery and design of novel, highly-tunable, and transient materials, as well as the exploration of fundamental processes, such as exciton transport and coherence, and nonlinear and ultrafast optical response in materials relevant to fields such as optoelectronics, quantum information, and energy research. Materials of interest include two-dimensional materials and heterostructures, material defects, hybrid perovskite, and topological materials, among many others.

Selected Awards & Honors:

  • Packard Fellowship for Science and Engineering, 2021
  • DOE Early Career Award, 2021
  • Rising Stars in Physics, 2018
  • Jackson C. Koo Award in Condensed Matter Physics, 2017

Selected Publications:

     For a full list, visit Prof. Qiu's Google Scholar profile.


  • 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, (2022).
  • 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).
  • 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).
  • 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).
  • 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).
  • 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).
  • 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).
  • 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).
  • 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).
  • 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).