Dr Xiuwen Zhou

ARC DECRA Fellow

Physics
Faculty of Science
x.zhou6@uq.edu.au
+61 7 334 67715

Overview

Dr Xiuwen Zhou received her PhD in 2014 from the University of Geneva (Switzerland), where she worked with Prof Tomasz A. Wesolowski. Then she moved to the University of Queensland as a visiting scholar, supported by two awarded fellowships, a Swiss National Science Foundation Early Postdoc Mobility fellowship (2015) and an Australia-APEC Woman in Research Fellowship (2016), hosted by Prof Ben Powell and Prof Paul Burn. Later, she accepted an UQ Development Fellowship in 2017, working as a research fellow at the School of Mathematics and Physics. She was lately awarded an Australia Research Council Discovery Early Research Award commencing in July 2019.

Research Interests

  • Modelling of large-scale systems
    Dr Xiuwen Zhou is a theoretician in the interdisciplinary area of physics and chemistry. Her research interest is to solve problems in chemistry and condensed-matter physics by computer modelling. One of her interests is to answer questions on the quantum properties of large-scale systems such as biological systems, porous solid systems, and solvation systems using multiscale modelling methods (eg, Frozen-Density Embedding Theory)
  • Rational design of functional molecules/materials
    Current focus is on the design of light-emitting fluorophores/phosphors and optical chemical sensors
  • Dynamics of molecular excited states
    Investigating the dynamics of molecular excited states using Car–Parrinello Molecular Dynamics (CPMD) method
  • Strongly-correlated molecular crystals
    Developing the parameters for the effective Hamiltonian for molecular crystals with first-principles methods (eg, DFT)

Qualifications

  • Doctor of Science, University of Geneva

Publications

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Supervision

  • Doctor Philosophy

  • Doctor Philosophy

  • (2021) Doctor Philosophy

View all Supervision

Available Projects

  • Organic light-emitting diodes (OLEDs) are widely viewed as the basis for next generation displays and lighting. However, to apply this technology widely and for it to reach its full potential, improvements in the emission efficiency and device lifetime are vital. So far, the development of blue, and especially deep blue light-emitting materials (emitters) in OLEDs has progressed relatively slowly. Therefore being able to predict the key photophysical properties prior to the chemical synthesis and measurement of properties is of crucial importance for the discovery of new highly efficient blue emitters. In this project you will develop supercomputer modeling strategies for the design of new emitters in OLEDs. You will apply state-of-the-art molecular simulation methods, e.g., electronic structure methods based on density functional theory, big-data approach and multi-scale simulation methods. This project is particularly suitable for students interested in the challenges at the interface of physics and chemistry.

View all Available Projects

Publications

Featured Publications

Journal Article

Grants (Administered at UQ)

PhD and MPhil Supervision

Current Supervision

  • Doctor Philosophy — Principal Advisor

    Other advisors:

  • Doctor Philosophy — Associate Advisor

    Other advisors:

Completed Supervision

Possible Research Projects

Note for students: The possible research projects listed on this page may not be comprehensive or up to date. Always feel free to contact the staff for more information, and also with your own research ideas.

  • Organic light-emitting diodes (OLEDs) are widely viewed as the basis for next generation displays and lighting. However, to apply this technology widely and for it to reach its full potential, improvements in the emission efficiency and device lifetime are vital. So far, the development of blue, and especially deep blue light-emitting materials (emitters) in OLEDs has progressed relatively slowly. Therefore being able to predict the key photophysical properties prior to the chemical synthesis and measurement of properties is of crucial importance for the discovery of new highly efficient blue emitters. In this project you will develop supercomputer modeling strategies for the design of new emitters in OLEDs. You will apply state-of-the-art molecular simulation methods, e.g., electronic structure methods based on density functional theory, big-data approach and multi-scale simulation methods. This project is particularly suitable for students interested in the challenges at the interface of physics and chemistry.