Researcher

Dr Jack Yang

Keywords

Fields of Research (FoR)

Theory and Design of Materials, Theoretical and Computational Chemistry

Biography

Jan 2019 – Present  Lecturer, School of Material Science and Engineering & MMFI, UNSW

Jul 2017 – Dec 2018 Research Fellow, School of Material Science and Engineering & MMFI, UNSW

Jul 2017 – Dec 2019  Postdoctoral Research Fellow, Australian Nuclear Science and Technology Organization (ANSTO)

Oct 2013 – Jun 2017 Postdoctoral Research Fellow (with Prof. Graeme M. Day), School of Chemistry, University of Southampton, United Kingdom

May...view more

Jan 2019 – Present  Lecturer, School of Material Science and Engineering & MMFI, UNSW

Jul 2017 – Dec 2018 Research Fellow, School of Material Science and Engineering & MMFI, UNSW

Jul 2017 – Dec 2019  Postdoctoral Research Fellow, Australian Nuclear Science and Technology Organization (ANSTO)

Oct 2013 – Jun 2017 Postdoctoral Research Fellow (with Prof. Graeme M. Day), School of Chemistry, University of Southampton, United Kingdom

May 2011 – Oct 2013 Postdoctoral Scientist (with Dr. Mark P. Waller), Organic Chemistry Institute, Westfälische Wilhelms-Universität Münster, Germany


My Grants

2021 UNSW Science Faculty Research GrantSolid Catalysts for Solarthermal Ammonia Synthesis – Exploring the Uncharted Territory of Quaternary Oxides ($4,000)

2020 UNSW MMFI Seed Funding, Solid Catalysts for Solarthermal Ammonia Synthesis – Exploring the Uncharted Territory of Ternary Oxides ($20,000)


My Qualifications

2010 Doctor of Philosophy, School of Material Science and Engineering, UNSW

2010 Graduate Certificate in Research Management and Commercialization, School of Biotechnology and Biomolecular Science, UNSW

2007 Bachelor of Science (Nanotechnology, Honor Class 1), School of Material Science and Engineering, UNSW


My Awards

2020 Postgraduate Council Research Supervisor Award (UNSW)  


My Research Activities

I am a computational chemist interested in the structural-property relationships across a diverse range of materials, including organic crystals and inorganic perovskites. He is particularly interested in the electron-phonon interactions in these systems and looking at how their electronic, thermal, as well as catalytic properties are affected by their structures. In his research group, they aim to shift the paradigm of serendipity-driven research to an informed approach. By applying high-throughput simulations on supercomputers to screening through thousands of materials, they are able to find out candidates with desirable physical/chemical properties before going to make and test them in the labs. To further discover intriguing information behind results obtained from high-throughput simulations, we develop and apply new machine-learning methods to explore the structural-property relationships in complex materials.


My Research Supervision


Supervision keywords


Areas of supervision

  • Machine-learning for material discoveries
  • High-throughput computational screening of functional materials
  • Complex oxides for electronic and energy-harvesting applications
  • Computational designs of solid-state catalysts
  • Molecular crystal structure predictions for organic electronics and pharmaceutical designs

My Teaching

MATS3006 Computational Modelling

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