Dr Xiuwen Zhou
Dr

Xiuwen Zhou

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Background

Xiuwen Zhou received her PhD in 2014 from the University of Geneva (Switzerland), where she worked with Prof Tomasz A. Wesolowski, who is recognized as the co-inventor of Frozen-Density Embedding Theory (FDET) alongside Nobel laureate Prof. Arieh Warshel (co-winner of the 2013 Nobel Prize in Chemistry). Then she moved to the University of Queensland (UQ) as a visiting scholar, supported by two awarded fellowships, i.e., a Swiss National Science Foundation (SNSF) Early Postdoc Mobility Fellowship (2015) and an Australian-APEC Women in Research Fellowship (2016). She then took up a UQ Development Fellowship in 2017, working as a teaching and research fellow at UQ School of Mathematics and Physics. Later, she was awarded an Australian Research Council Discovery Early Career Researcher Award (ARC DECRA) commencing in 2019.

Availability

Dr Xiuwen Zhou is:
Available for supervision

Fields of research

Chemical Sciences Condensed matter physics Physical Sciences Physical chemistry

Qualifications

  • Doctor of Philosophy, University of Geneva

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)

Search Professor Xiuwen Zhou’s works on UQ eSpace

43 works between 2009 and 2025
All (43) Journal Article (43)

21 - 40 of 43 works

2020

Journal Article

Methoxy-substituted bis-tridentate iridium(iii) phosphors and fabrication of blue organic light emitting diodes

Tai, Wun-Shan, Hsu, Ling-Yang, Hung, Wen-Yi, Chen, Yi-Yang, Ko, Chang-Lun, Zhou, Xiuwen, Yuan, Yi, Jen, Alex K.-Y. and Chi, Yun (2020). Methoxy-substituted bis-tridentate iridium(iii) phosphors and fabrication of blue organic light emitting diodes. Journal of Materials Chemistry C, 8 (39), 13590-13602. doi: 10.1039/d0tc03453c

Methoxy-substituted bis-tridentate iridium(iii) phosphors and fabrication of blue organic light emitting diodes

2019

Journal Article

Bis-tridentate Ir-III phosphors bearing two fused five-six-membered metallacycles: a strategy to improved photostability of blue emitters

Hsu, Ling-Yang, Liang, Qiumin, Wang, Zhiheng, Kuo, Hsin-Hung, Tai, Wun-Shan, Su, Shi-Jian, Zhou, Xiuwen, Yuan, Yi and Chi, Yun (2019). Bis-tridentate Ir-III phosphors bearing two fused five-six-membered metallacycles: a strategy to improved photostability of blue emitters. Chemistry - A European Journal, 25 (67) chem.201903707, 15375-15386. doi: 10.1002/chem.201903707

Bis-tridentate Ir-III phosphors bearing two fused five-six-membered metallacycles: a strategy to improved photostability of blue emitters

2019

Journal Article

Realization of highly efficient red phosphorescence from Bis-Tridentate Iridium(III) phosphors

Gnanasekaran, Premkumar, Yuan, Yi, Lee, Chun-Sing, Zhou, Xiuwen, Jen, Alex K.-Y. and Chi, Yun (2019). Realization of highly efficient red phosphorescence from Bis-Tridentate Iridium(III) phosphors. Inorganic Chemistry, 58 (16) acs.inorgchem.9b01383, 10944-10954. doi: 10.1021/acs.inorgchem.9b01383

Realization of highly efficient red phosphorescence from Bis-Tridentate Iridium(III) phosphors

2018

Journal Article

Nonradiative decay and stability of N-heterocyclic carbene iridium(III) complexes

Zhou, Xiuwen and Powell, Benjamin J. (2018). Nonradiative decay and stability of N-heterocyclic carbene iridium(III) complexes. Inorganic Chemistry, 57 (15) acs.inorgchem.8b00800, 8881-8889. doi: 10.1021/acs.inorgchem.8b00800

Nonradiative decay and stability of N-heterocyclic carbene iridium(III) complexes

2017

Journal Article

Correction to bond fission and non-radiative decay in iridium(III) complexes

Zhou, Xiuwen, Burn, Paul L and Powell, Benjamin J (2017). Correction to bond fission and non-radiative decay in iridium(III) complexes. Inorganic Chemistry, 56 (13), 7574-7574. doi: 10.1021/acs.inorgchem.7b01260

Correction to bond fission and non-radiative decay in iridium(III) complexes

2017

Journal Article

Effect of n-propyl substituents on the emission properties of blue phosphorescent iridium(iii) complexes

Zhou, Xiuwen, Burn, Paul L. and Powell, Benjamin J. (2017). Effect of n-propyl substituents on the emission properties of blue phosphorescent iridium(iii) complexes. Journal of Chemical Physics, 146 (17) 174305, 174305-1-174305-6. doi: 10.1063/1.4981797

Effect of n-propyl substituents on the emission properties of blue phosphorescent iridium(iii) complexes

2017

Journal Article

Aggregates of diketopyrrolopyrrole dimers in solution

Wawrzinek, Robert, Zhou, Xiuwen, Ullah, Mujeeb, Namdas, Ebinazar B. and Lo, Shih-Chun (2017). Aggregates of diketopyrrolopyrrole dimers in solution. Dyes and Pigments, 136, 678-685. doi: 10.1016/j.dyepig.2016.08.064

Aggregates of diketopyrrolopyrrole dimers in solution

2016

Journal Article

Bond fission and non-radiative decay in iridium(III) complexes

Zhou, Xiuwen, Burn, Paul L. and Powell, Benjamin J. (2016). Bond fission and non-radiative decay in iridium(III) complexes. Inorganic Chemistry, 55 (11), 5266-5273. doi: 10.1021/acs.inorgchem.6b00219

Bond fission and non-radiative decay in iridium(III) complexes

2015

Journal Article

Frozen-density embedding strategy for multilevel simulations of electronic structure

Wesolowski, Tomasz A., Shedge, Sapana and Zhou, Xiuwen (2015). Frozen-density embedding strategy for multilevel simulations of electronic structure. Chemical Reviews, 115 (12), 5891-5928. doi: 10.1021/cr500502v

Frozen-density embedding strategy for multilevel simulations of electronic structure

2014

Journal Article

Non-uniform continuum model for solvated species based on Frozen-Density Embedding Theory: The study case of solvatochromism of coumarin 153

Shedge, Sapana V., Zhou, Xiuwen and Wesolowski, Tomasz A. (2014). Non-uniform continuum model for solvated species based on Frozen-Density Embedding Theory: The study case of solvatochromism of coumarin 153. Chimia, 68 (9), 609-614. doi: 10.2533/chimia.2014.609

Non-uniform continuum model for solvated species based on Frozen-Density Embedding Theory: The study case of solvatochromism of coumarin 153

2014

Journal Article

Spectral tuning of rhodopsin and visual cone pigments

Zhou, Xiuwen, Sundholm, Dage, Wesolowski, Tomasz A. and Kaila, Ville R. I. (2014). Spectral tuning of rhodopsin and visual cone pigments. Journal of the American Chemical Society, 136 (7), 2723-2726. doi: 10.1021/ja411864m

Spectral tuning of rhodopsin and visual cone pigments

2014

Journal Article

How to choose the frozen density in frozen-density embedding theory-based numerical simulations of local excitations?

Humbert-Droz, Marie, Zhou, Xiuwen, Shedge, Sapana V. and Wesolowski, Tomasz A. (2014). How to choose the frozen density in frozen-density embedding theory-based numerical simulations of local excitations?. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 133 (1) 1405, 1-20. doi: 10.1007/s00214-013-1405-1

How to choose the frozen density in frozen-density embedding theory-based numerical simulations of local excitations?

2013

Journal Article

First-principles simulation of the absorption bands of fluorenone in zeolite L

Zhou, Xiuwen, Wesolowski, Tomasz A., Tabacchi, Gloria, Fois, Ettore, Calzaferri, Gion and Devaux, Andre (2013). First-principles simulation of the absorption bands of fluorenone in zeolite L. Physical Chemistry Chemical Physics, 15 (1), 159-167. doi: 10.1039/c2cp42750h

First-principles simulation of the absorption bands of fluorenone in zeolite L

2011

Journal Article

Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 case

Zhou, Xiuwen, Kaminski, Jakub W. and Wesolowski, Tomasz A. (2011). Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 case. Physical Chemistry Chemical Physics, 13 (22), 10565-10576. doi: 10.1039/c0cp02874f

Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 case

2011

Journal Article

Computer simulation of the electronic structures and absorption spectra for a KMgF3 crystal containing a potassium vacancy

Cheng, Fang, Liu, Ting-Yu, Zhang, Qi-Ren, Qiao, Hai-Ling and Zhou, Xiu-Wen (2011). Computer simulation of the electronic structures and absorption spectra for a KMgF3 crystal containing a potassium vacancy. Chinese Physics Letters, 28 (3) 036106, 036106. doi: 10.1088/0256-307X/28/3/036106

Computer simulation of the electronic structures and absorption spectra for a KMgF3 crystal containing a potassium vacancy

2010

Journal Article

First-principles study of LiBaF3 crystals containing interstitial fluoride

Qiao, Hailing, Liu, Tingyu, Zhang, Qiren, Cheng, Fang and Zhou, Xiuwen (2010). First-principles study of LiBaF3 crystals containing interstitial fluoride. Current Applied Physics, 10 (5), 1286-1289. doi: 10.1016/j.cap.2010.02.057

First-principles study of LiBaF3 crystals containing interstitial fluoride

2010

Journal Article

First principle studies on the electronic structures and absorption spectra in KMgF3 crystal with fluorine vacancy

Cheng, Fang, Liu, Tingyu, Zhang, Qiren, Qiao, Hailin and Zhou, Xiuwen (2010). First principle studies on the electronic structures and absorption spectra in KMgF3 crystal with fluorine vacancy. Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms, 268 (15), 2403-2407. doi: 10.1016/j.nimb.2010.03.008

First principle studies on the electronic structures and absorption spectra in KMgF3 crystal with fluorine vacancy

2010

Journal Article

First-principle with regard to electronic structures and optical properties of perfect KMgF 3 single crystal

Cheng, Fang, Liu, Ting-Yu, Zhang, Qi-Ren, Qiao, Hai-Lin and Zhou, Xiu-Wen (2010) First-principle with regard to electronic structures and optical properties of perfect KMgF 3 single crystal. Shanghai Ligong Daxue Xuebao/Journal of University of Shanghai for Science and Technology, 32 3: 263-267.

First-principle with regard to electronic structures and optical properties of perfect KMgF 3 single crystal

2010

Journal Article

Study on the electronic structures and the optical properties of the Mg-doped LiBaF3 crystal

Qiao, Hailing, Liu, Tingyu, Zhang, Qiren, Cheng, Fang and Zhou, Xiuwen (2010). Study on the electronic structures and the optical properties of the Mg-doped LiBaF3 crystal. Physica B: Condensed Matter, 405 (7), 1759-1762. doi: 10.1016/j.physb.2010.01.035

Study on the electronic structures and the optical properties of the Mg-doped LiBaF3 crystal

2010

Journal Article

First-principles study on the F-type color centers in LiBaF3 crystals

Qiao, Hailing, Liu, Tingyu, Zhang, Qiren, Cheng, Fang and Zhou, Xiuwen (2010). First-principles study on the F-type color centers in LiBaF3 crystals. Physica B: Condensed Matter, 405 (3), 932-935. doi: 10.1016/j.physb.2009.10.018

First-principles study on the F-type color centers in LiBaF3 crystals

Availability

Dr Xiuwen Zhou is:
Available for supervision

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Supervision history

Current supervision

  • Doctor Philosophy

    Computer-aided material discovery for light-emitting materials in OLEDs

    Principal Advisor

    Other advisors: Professor Ben Powell

Completed supervision

Enquiries

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