Dr Krishna Ghose
Research Associate

Dr Krishna Ghose

  • Doctor of Philosophy, The University of Newcastle, Australia
  • Master in Materials Science and Engineering, The University of Genoa, Italy
  • Master in Chemistry, The University of Paris-Sud, France
  • Master in Chemistry, The University of Adam Mickiewicz, Poland
  • Bachelor of Science with Honours in Physics, The University of Chittagong, Bangladesh
UNSW Canberra
School of Science

Dr Krishna Ghose is a Postdoctoral Fellow in the School of Science at UNSW Canberra. His current research is focused towards the electronic and optical properties analysis of narrow bandgap semiconductors for photocatalytic and photoelectrochemical applications by first-principles method. Previously, he was appointed as a Postdoctoral Research Associate in the school of Environmental and Life Sciences at The University of Newcastle in Australia, where he analysed the electronic structure of heterojunctions composed of carbon and boron-nitride nanotubes by first-principles method. He held PhD qualification in 2020 from The University of Newcastle and his PhD research focused on modelling and characterisation of perovskite oxides for high-temperature solar-to-fuel energy conversion by DFT methods. Having received a Bachelor of Science with Honours in Physics from University of Chittagong in Bangladesh, he obtained international joint Master degree from top three Universities in Europe (The University of Paris-Sud, France; The University of Genoa, Italy; The University of Adam Mickiewicz, Poland) under the prestigious Erasmus Mundus scholarship offered by European Commission. Dr Ghose has expertise in interdisciplinary research fields of computational materials chemistry, advanced materials design for clean energy conversion, functional materials and their thermochemistry by DFT, and biomolecular simulation using ab-intio molecular dynamics techniques.

Mobile
0470632676
Location
PEMS South (Bldg 26) School of Science UNSW Canberra Australian Defence Force Academy PO Box 7916 Canberra BC ACT 2610 AUSTRALIA
  • Journal articles | 2024
    Ghose KK; Liu Y; Frankcombe TJ, 2024, 'High-temperature reduction thermochemistry of SrVO3−δ ', JPhys Energy, 6, http://dx.doi.org/10.1088/2515-7655/ad0b8a
    Journal articles | 2023
    Ghose K; Brown J; Frankcombe T; Page A; Bayon A, 2023, 'Density functional theory modeling of critical properties of perovskite oxides for water splitting applications', WIREs Energy and Environment, http://dx.doi.org/10.1002/wene.476
    Journal articles | 2023
    Ghose KK; Liu Y; Frankcombe TJ, 2023, 'Comparative first-principles structural and vibrational properties of rutile and anatase TiO2', Journal of Physics Condensed Matter, 35, http://dx.doi.org/10.1088/1361-648X/acf639
    Journal articles | 2022
    Ghose KK; Bayon A; Page AJ, 2022, 'First-principles thermochemical properties of hexagonal and cubic phase BaMnO3', Materials Today Communications, 31, http://dx.doi.org/10.1016/j.mtcomm.2022.103453
    Journal articles | 2020
    Bayon A; de la Calle A; Ghose KK; Page A; McNaughton R, 2020, 'Experimental, computational and thermodynamic studies in perovskites metal oxides for thermochemical fuel production: A review', International Journal of Hydrogen Energy, 45, pp. 12653 - 12679, http://dx.doi.org/10.1016/j.ijhydene.2020.02.126
    Journal articles | 2020
    Ghose KK; Bayon A; Page AJ, 2020, 'Electronic Structure and High-Temperature Thermochemistry of Oxygen-Deficient BaMO3 (M = Ti - Cu) Perovskites', Journal of Physical Chemistry C, 124, pp. 27055 - 27063, http://dx.doi.org/10.1021/ACS.JPCC.0C06369
    Journal articles | 2019
    Ghose KK; Bayon A; Hinkley J; Page AJ, 2019, 'Electronic structure and high-temperature thermochemistry of BaZrO3-: δ perovskite from first-principles calculations', Physical Chemistry Chemical Physics, 21, pp. 12468 - 12476, http://dx.doi.org/10.1039/c9cp02505g
    Journal articles | 2018
    Fujii K; Izumi Y; Narita A; Ghose KK; López-Tarifa P; Touati A; Spezia R; Vuilleumier R; Gaigeot MP; Politis MF; Du Penhoat MAH; Yokoya A, 2018, 'Roles of Hydration for Inducing Decomposition of 2-Deoxy-d-ribose by Ionization of Oxygen K-Shell Electrons', Radiation Research, 189, pp. 264 - 272, http://dx.doi.org/10.1667/RR14225.1
    Journal articles | 2015
    du Penhoat M-AH; Ghose KK; Gaigeot M-P; Vuilleumier R; Fujii K; Yokoya A; Politis M-F, 2015, 'Investigation of the fragmentation of core-ionised deoxyribose: a study as a function of the tautomeric form', PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17, pp. 32375 - 32383, http://dx.doi.org/10.1039/c5cp05196g
    Journal articles | 2014
    Du Penhoat MAH; López-Tarifa P; Ghose KK; Jeanvoine Y; Gaigeot MP; Vuilleumier R; Politis MF; Bacchus-Montabonel MC, 2014, 'Modeling proton-induced damage on 2-deoxy-D-ribose. Conformational analysis', Journal of Molecular Modeling, 20, http://dx.doi.org/10.1007/s00894-014-2221-9
  • Conference Posters | 2022
    Ghose K; Frankcombe T, 2022, 'Comparative First-Principles Phonon Dispersion of Rutile and Anatase TiO2', Brisbane, Australia, presented at RACI 2022 National Congress, Brisbane, Australia, 03 July 2022 - 08 July 2022
    Conference Presentations | 2020
    Ghose K; Bayon A; Page A, 2020, 'Trends in High-Temperature Thermochemistry of BaMO3 (M=Ti-Cu) and RCoO3 (R=La-Tb) Perovskites from First-Principles Calculations', presented at Computational Chemistry Conference, Bowral, Australia, 19 February 2020 - 21 February 2020
    Theses / Dissertations | 2020
    Ghose K, 2020, First-Principles Investigation of Trends in High-Temperature Thermochemistry of Perovskite Oxides, https://nova.newcastle.edu.au/vital/access/services/Download/uon:38247/ATTACHMENT01?view=true
    Conference Presentations | 2019
    Ghose K; Bayon A; Page A, 2019, 'Electronic Structure and High-Temperature Thermochemistry of BaZrO3-d Perovskite', presented at Asia-Pacific Solar Research Conference, Canberra, Australia, 03 December 2019 - 05 December 2019
    Conference Abstracts | 2019
    Ghose K; Bayon A; Page A, 2019, 'Electronic Structure and High-Temperature Thermochemistry of BaZrO3-δ Perovskite from First-Principles Calculations', in ‘Proceedings of the Asia Pacific Solar Research Conference 2019, Australian PV Institute, Australia, presented at Asia-Pacific Solar Research Conference, Australia, 03 December 2019 - 05 December 2019, https://apvi.org.au/solar-research-conference/wp-content/uploads/2019/12/148_Ghose-Krishna_SFC_2019.pdf
    Conference Posters | 2018
    Ghose K; Bayon A; Page A, 2018, 'BaZrO3 Perovskite for Solar Thermal Water Splitting Applications - Temperature-Dependent Redox Properties', Sydney, Australia, presented at Australian Symposium on Computational Enhanced Materials Design, Sydney, Australia, 22 July 2018 - 25 October 2018
    Conference Abstracts | 2018
    Ghose K; Bayon A; Page A, 2018, 'BaZrO3 Perovskite for Solar Thermal Water Splitting Applications: High Temperature Redox Thermochemistry', in ‘Proceedings of the Asia Pacific Solar Research Conference 2018, Australian PV Institute, Australia, presented at Asia Pacific Solar Research Conference, Australia, 04 December 2018 - 06 December 2018, https://apvi.org.au/solar-research-conference/wp-content/uploads/2019/02/Page-AJ-BaZrO3-Perovskite-for-Solar-Thermal-Water-Splitting-Applications-High-Temperature-Redox-Thermochemistry.pdf
    Conference Presentations | 2018
    Ghose K; Bayon A; Page A, 2018, 'Thermochemical Properties of BaXO3 (X=Zr, Mn) Perovskite Materials using First Principles Phonon Calculations', presented at International Conference on Emerging Advanced Nanomaterials, Australia, 30 October 2018 - 03 November 2018
    Conference Presentations | 2018
    Ghose K, 2018, 'High-Temperature Thermochemistry of Oxygen-Deficient BaZrO3 Perovskite by DFT', presented at Asia-Pacific Solar Research Conference, Sydney, Australia, 04 December 2018 - 06 December 2018
    Conference Posters | 2017
    Ghose K; Bayon A; Page A, 2017, 'Thermochemical Properties of BaXO3 (X=Mn, Zr, Ce) Perovskite Materials using First Principles Phonon Calculations', Munich, Germany, Vol. PO1-293, presented at 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Munich, Germany, 27 August 2017 - 01 September 2017
    Conference Posters | 2017
    Ghose K; Bayon A; Page A, 2017, 'Thermochemical Properties of BaZrO3 Perovskite Materials using First Principles Phonon Calculations', Berlin, Germany, presented at Hands-on Workshop Density-Functional Theory and Beyond, Berlin, Germany, 31 July 2017 - 11 August 2017
    Conference Posters | 2017
    Ghose K, 2017, 'Thermodynamic Properties of BaXO3 (X = Ce, Mn) Perovskites by Density Functional Perturbation Theory', presented at Big Data in Chemistry-53rd Symposium on Theoretical Chemistry, 21 August 2017 - 25 August 2017
    Conference Presentations | 2016
    Ghose K; Bayon A; Page A, 2016, 'Thermochemical Properties of BaMO3 (M=Ce, Zr, Mn) Perovskite', presented at RACI Physical Chemistry Student Conference, Katoomba, Australia, 25 September 2016 - 27 September 2016
    Theses / Dissertations | 2013
    Ghose K, 2013, Ab-initio Molecular Dynamics Study of Radiation-Induced Damage to DNA Sugar in the Gas Phase, https://drive.google.com/file/d/1BMlciUlkg4iGkSIbsttmpl7u5Wio4gVz/view?usp=sharing