Jack Yang

Lecturer

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

Book Chapters
add
Ao Z; Li SS, 2011, 'Applications of Al Modified Graphene on Gas Sensors and Hydrogen Storage', in Mikhailov S (ed.), Physics and Applications of Graphene - Theory, InTech, Vienna, pp. 133 - 174, http://www.intechopen.com/books/physics-and-applications-of-graphene-theory/applications-of-al-modified-graphene-on-gas-sensors-and-hydrogen-storage
2011
Journal articles
add
Seyfouri MM; Liu Q; Yang J; Sun Y; Dai X; Shi J; Tan X; Li S; Wu T; Wang D, 2021, 'New insights on the substantially reduced bandgap of bismuth layered perovskite oxide thin films', Journal of Materials Chemistry C, vol. 9, pp. 3161 - 3170, http://dx.doi.org/10.1039/d0tc05300g
2021
Liu Y; Yang J; Liu Y; Zheng J; Lee W; Shi J; Horlyck J; Xie J; Tay YY; Tan TT; Yu D; Mole R; McIntyre G; Zhang C; Toe CY; Waite TD; Scott J; Wang Y; Wu T; Han S; Li S, 2020, 'Manipulation of planar oxygen defect arrangements in multifunctional magnèli titanium oxide hybrid systems: From energy conversion to water treatment', Energy and Environmental Science, vol. 13, pp. 5080 - 5096, http://dx.doi.org/10.1039/d0ee02550j
2020
Humphries TD; Yang J; Mole RA; Paskevicius M; Bird JE; Rowles MR; Tortoza MS; Veronica Sofianos M; Yu D; Buckley CE, 2020, 'Fluorine Substitution in Magnesium Hydride as a Tool for Thermodynamic Control', Journal of Physical Chemistry C, vol. 124, pp. 9109 - 9117, http://dx.doi.org/10.1021/acs.jpcc.9b11211
2020
Wang Y; Guan X; Chen W; Yang J; Hu L; Yang J; Li S; Kalantar-Zadeh K; Wen X; Wu T, 2020, 'Illumination-Induced Phase Segregation and Suppressed Solubility Limit in Br-Rich Mixed-Halide Inorganic Perovskites', ACS Applied Materials and Interfaces, vol. 12, pp. 38376 - 38385, http://dx.doi.org/10.1021/acsami.0c10363
2020
Zheng Y; Yang T; Fang Z; Shang M; Zhang Z; Yang J; Fan J; Yang W; Hou X; Wu T, 2020, 'All-inorganic dual-phase halide perovskite nanorings', Nano Research, vol. 13, pp. 2994 - 3000, http://dx.doi.org/10.1007/s12274-020-2963-x
2020
Yang J; Wang Y; Wu T; Li S, 2020, 'Correlating the Composition-Dependent Structural and Electronic Dynamics of Inorganic Mixed Halide Perovskites', Chemistry of Materials, vol. 32, pp. 2470 - 2481, http://dx.doi.org/10.1021/acs.chemmater.9b04995
2020
Yang J, 2020, 'Composition-dependent chemical and structural stabilities of mixed tin-lead inorganic halide perovskites', Physical Chemistry Chemical Physics, vol. 22, pp. 19787 - 19794, http://dx.doi.org/10.1039/d0cp03170d
2020
Yang J, 2020, 'Mapping temperature-dependent energy-structure-property relationships for solid solutions of inorganic halide perovskites', Journal of Materials Chemistry C, vol. 8, pp. 16815 - 16825, http://dx.doi.org/10.1039/d0tc04515b
2020
Yang J; Li N; Li S, 2019, 'The interplay among molecular structures, crystal symmetries and lattice energy landscapes revealed using unsupervised machine learning: A closer look at pyrrole azaphenacenes', CrystEngComm, vol. 21, pp. 6173 - 6185, http://dx.doi.org/10.1039/c9ce01190k
2019
Liu Y; Wang W; Yang J; Li S, 2018, 'Recent Advances of Layered Thermoelectric Materials', Advanced Sustainable Systems, vol. 2, http://dx.doi.org/10.1002/adsu.201800046
2018
Yang J; De S; Campbell JE; Li S; Ceriotti M; Day GM, 2018, 'Large-Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction', Chemistry of Materials, vol. 30, pp. 4361 - 4371, http://dx.doi.org/10.1021/acs.chemmater.8b01621
2018
Fan J; Yang J; Pham A; Li S, 2018, 'Origins of possible synergistic effects in the interactions between metal atoms and MoS2/graphene heterostructures for battery applications', Physical Chemistry Chemical Physics, vol. 20, pp. 18671 - 18677, http://dx.doi.org/10.1039/c8cp02740d
2018
Musil F; De S; Yang J; Campbell JE; Day GM; Ceriotti M, 2018, 'Machine learning for the structure-energy-property landscapes of molecular crystals', Chemical Science, vol. 9, pp. 1289 - 1300, http://dx.doi.org/10.1039/c7sc04665k
2018
Campbell JE; Yang J; Day GM, 2017, 'Predicted energy-structure-function maps for the evaluation of small molecule organic semiconductors', Journal of Materials Chemistry C, vol. 5, pp. 7574 - 7584, http://dx.doi.org/10.1039/c7tc02553j
2017
Yang J; Waller MP, 2017, 'A hybrid dimer swarm optimizer', COMPUTATIONAL AND THEORETICAL CHEMISTRY, vol. 1102, pp. 98 - 104, http://dx.doi.org/10.1016/j.comptc.2016.12.019
2017
Reilly AM; Cooper RI; Adjiman CS; Bhattacharya S; Boese AD; Brandenburg JG; Bygrave PJ; Bylsma R; Campbell JE; Car R; Case DH; Chadha R; Cole JC; Cosburn K; Cuppen HM; Curtis F; Day GM; DiStasio RA; Dzyabchenko A; Van Eijck BP; Elking DM; Van Den Ende JA; Facelli JC; Ferraro MB; Fusti-Molnar L; Gatsiou CA; Gee TS; De Gelder R; Ghiringhelli LM; Goto H; Grimme S; Guo R; Hofmann DWM; Hoja J; Hylton RK; Iuzzolino L; Jankiewicz W; De Jong DT; Kendrick J; De Klerk NJJ; Ko HY; Kuleshova LN; Li X; Lohani S; Leusen FJJ; Lund AM; Lv J; Ma Y; Marom N; Masunov AE; McCabe P; McMahon DP; Meekes H; Metz MP; Misquitta AJ; Mohamed S; Monserrat B; Needs RJ; Neumann MA; Nyman J; Obata S; Oberhofer H; Oganov AR; Orendt AM; Pagola GI; Pantelides CC; Pickard CJ; Podeszwa R; Price LS; Price SL; Pulido A; Read MG; Reuter K; Schneider E; Schober C; Shields GP; Singh P; Sugden IJ; Szalewicz K; Taylor CR; Tkatchenko A; Tuckerman ME; Vacarro F; Vasileiadis M; Vazquez-Mayagoitia A; Vogt L; Wang Y; Watson RE; De Wijs GA; Yang J; Zhu Q; Groom CR, 2016, 'Report on the sixth blind test of organic crystal structure prediction methods', Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, vol. 72, pp. 439 - 459, http://dx.doi.org/10.1107/S2052520616007447
2016
Waller MP; Kumbhar S; Yang J, 2014, 'A Density-Based Adaptive Quantum Mechanical/Molecular Mechanical Method', CHEMPHYSCHEM, vol. 15, pp. 3218 - 3225, http://dx.doi.org/10.1002/cphc.201402105
2014
Yang J; Waller MP, 2013, 'A Systematic Approach to Identify Cooperatively Bound Homotrimers', JOURNAL OF PHYSICAL CHEMISTRY A, vol. 117, pp. 174 - 182, http://dx.doi.org/10.1021/jp310067m
2013
Yang J; Waller MP, 2013, 'Revealing noncovalent interactions in quantum crystallography: Taurine revisited', JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 34, pp. 466 - 470, http://dx.doi.org/10.1002/jcc.23155
2013
Dresselhaus T; Yang J; Kumbhar S; Waller MP, 2013, 'Hybrid Metaheuristic Approach for Nonlocal Optimization of Molecular Systems', JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 9, pp. 2137 - 2149, http://dx.doi.org/10.1021/ct301079m
2013
Waller MP; Dresselhaus T; Yang J, 2013, 'JACOB: An enterprise framework for computational chemistry', JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 34, pp. 1420 - 1428, http://dx.doi.org/10.1002/jcc.23272
2013
Yang J; Waller MP, 2012, 'JACOB: A Dynamic Database for Computational Chemistry Benchmarking', JOURNAL OF CHEMICAL INFORMATION AND MODELING, vol. 52, pp. 3255 - 3262, http://dx.doi.org/10.1021/ci300374g
2012
Yang J; Zhang Y; Li SS, 2011, 'Structure, stability and magnetism of cobalt doped (ZnO)n clusters', Journal of Nanoscience and Nanotechnology, vol. 11, pp. 2564 - 2569, http://dx.doi.org/10.1166/jnn.2011.2705
2011
Yang J; Li SS; Zhao Y; Zhao X, 2009, 'Size dependence and spatial variation of electronic structure in nonpolar ZnO nanobelts', Journal of Physical Chemistry C, vol. 113, pp. 4804 - 4808, http://dx.doi.org/10.1021/jp8105666
2009
Ao Z; Yang JL; Li SH; Jiang QS, 2008, 'Enhancement of CO detection in Al doped graphene', Chemical Physics Letters, vol. 461, pp. 276 - 279, http://dx.doi.org/10.1016/j.cplett.2008.07.039
2008
Li SS; Ao Z; Yang J; Jiang QS, 2008, 'Enhacement of CO detection in Al doped Graphene', Chemical Physics Letters, vol. 461, pp. 276 - 279
2008
Li SS; Li Z; McBean K; Phillips MA; Yang J, 2008, 'Origin of excitonic emission suppression in an individual ZnO nanobelt', Journal of Physical Chemistry C, vol. 112, pp. 10095 - 10099, http://dx.doi.org/10.1021/jp802814c
2008

2020 Postgraduate Council Research Supervisor Award (UNSW)  

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)

MATS3006 Computational Modelling