Our research is focusing on the fundamental understanding of structure-properties relations in materials,
with the goal of discovering and designing new materials in the following aspects.
We employ a variety of methods to investigate the properties for real materials,
including atomistic simulation based on molecular dynamics and Monte Carlo techniques,
density functional theory based electronic structure methods and
structure prediction techniques using evolutionary algorithms.
06/2020: |
Our work on graphite-diamond transition was published in Matter. |
06/2020: |
Another important work was just submitted (arXiv link). Happy Children's day! |
05/2020: |
I am planning to teach a virtual course on numerical optimization. Completely open to everyone. Feel free to contact qiang.zhu@unlv.edu if you are interested. |
04/2020: |
PyXtal-0.0.3 is available via pip instal pyxtal. Note this is a pre-release version.
Official release will follow up soon. |
02/2020: |
Our high throughput dielectric paper was published in Scientific data |
10/2019: |
PyXtal-0.0.1 is available via pip instal pyxtal. Note this is not a pre-release version.
Official release will follow up soon. |
10/2019: |
We are happy to release the package of vasprun-xml |
09/2019: |
Qiang Zhu gave a seminar at the University of Nevada Reno. |
08/2019: |
Two postdoc positions are available, please contact qiang.zhu@unlv.edu for details. |
08/2019: |
Our eletride paper has been published in Matter. |
08/2019: |
Qiang Zhu gave a seminar at the Los Alamos Nationation Labortory. |
06/2019: |
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04/2019: |
Our review on the materials discovery has been published in Nature Reviews Materials. |
03/2019: |
Prof. Feng Liu visited our research group and gave a talk in Physics department forum. |
02/2019: |
Prof. Yongmao Cai just arrived and will stay with us for one year as the visitiing scholar. |
02/2019: |
Our work on Rb3O electride has been accepted by Phys. Rev. Mater. |
02/2019: |
Our work on lindane has been accepted by Cryst. Growth Des.. |
01/2019: |
Our work on electrides with mixed bonding has been accepted by Phys. Rev. B.. |
01/2019: |
Our work on electrides with dinitrogen ligands has been accepted by ACS Appl. Mater. Interfaces.. Well done, Jingyu! |
01/2019: |
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12/2018: |
Our work on phase transition between FeO2 and Fe2O3 has been accepted by Inorg. Chem. |
12/2018: |
Our work on Sc-III/IV has been published in Phys. Rev. B
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10/2018: |
A new PhD student Xuhui Yang joined Zhu's group, welcome!
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09/2018: |
Our work in LiGe4 has been published in CrystEngComm.
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08/2018: |
Howard Yanxon did his summer intern in the Livermore National Lab.
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08/2018: |
Oiang Zhu visited ICQMS in Shanghai University as the summer visiting faculty
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07/2018: |
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07/2018: |
Qiang Zhu attended Faraday Discussion to discuss on recent work on
ROY
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06/2018: |
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05/2018: |
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05/2018: |
Our work on Oligomer Hydrate has been accepted by Chem. Mater.
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05/2018: |
Our work on TiTe2 has been accepted by Phys. Rev. B
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04/2018: |
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03/2018: |
Our work on grain boundary of bcc metal has been accepted in Nano Scale
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03/2018: |
Our work on sodium boride has been published in PRB
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02/2018: |
Our work on grain boundary has been published in Nature Communication
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12/2017: |
Prof. Artem Oganov visited our research group |
12/2017: |
Physics Department Forum Solids, Liquids, and Gases Under High Pressure
Ho-kwang Mao, Geophysical Lab of the Carnegie Institution for Science |
11/2017: |
Physics Department Forum Twisted crystals
Alexander Shtukenberg, New York University |
10/2017: |
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10/2017: |
Our group attended the CSUN Research Fair in UNLV.
200 undergraduate students and 110 Clark High School students attended this event. We introduced
to these students how compuational physics and materials sciences could change our life. Many thanks to Yingkai, Shengcai, Jingyu and Le! |
10/2017: |
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10/2017: |
Another couple of new members (Yanling, Jingyu, Le) joined our group since fall semster. Welcome!
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09/2017: |
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08/2017: |
Several new members (Shengcai, Yingkai, Richang, Scott) joined our group since this summer. Welcome!
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06/2017: |
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06/2017: |
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06/2017: |
Our work in DDT has been published in Angewandte Chemie
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05/2017: |
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05/2017: |
Our work in coumarin has been published in Chemical Science
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04/2017: |
Our glycine work has been highlighted by the Advanced Photon Source (APS) link
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04/2017: |
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04/2017: |
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03/2017: |
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03/2017: |
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02/2017: |
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02/2017: |
Our work in high pressure helium compound has been published in Nature Chemistry!
See Phys.org Report |
01/2017: |
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11/2016: |
Jesse Ortega joined group as a undergrad student. Welcome! |
10/2016: |
Zhu's group is looking to hire motivated, interested students and postdocs!
Please contact Qiang Zhu for details |
10/2016: |
Qiang Zhu joined UNLV as an assistant professor. |