Krishna Ghose

Postdoctoral Fellow
Research Associate

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.

Conference Abstracts
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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
2019
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
2018
Conference Posters
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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
2017
Conference Presentations
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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
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
2018
Journal articles
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Ghose KK; Bayon A; Page AJ, 2022, 'First-principles thermochemical properties of hexagonal and cubic phase BaMnO3', MATERIALS TODAY COMMUNICATIONS, vol. 31, http://dx.doi.org/10.1016/j.mtcomm.2022.103453
2022
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, vol. 45, pp. 12653 - 12679, http://dx.doi.org/10.1016/j.ijhydene.2020.02.126
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, vol. 124, pp. 27055 - 27063, http://dx.doi.org/10.1021/acs.jpcc.0c06369
2020
Ghose KK; Bayon A; Hinkley J; Page AJ, 2019, 'Electronic structure and high-temperature thermochemistry of BaZrO3-delta perovskite from first-principles calculations', PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 21, pp. 12468 - 12476, http://dx.doi.org/10.1039/c9cp02505g
2019
Fujii K; Izumi Y; Narita A; Ghose KK; Lopez-Tarifa P; Touati A; Spezia R; Vuilleumier R; Gaigeot M-P; Politis M-F; Du Penhoate M-AH; Yokoya A, 2018, 'Roles of Hydration for Inducing Decomposition of 2-Deoxy-D-ribose by Ionization of Oxygen K-Shell Electrons', RADIATION RESEARCH, vol. 189, pp. 264 - 272, http://dx.doi.org/10.1667/RR14225.1
2018
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, vol. 17, pp. 32375 - 32383, http://dx.doi.org/10.1039/c5cp05196g
2015
du Penhoat MAH; Lopez-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, vol. 20, http://dx.doi.org/10.1007/s00894-014-2221-9
2014

Advanced Materials Design for Clean Energy Conversion, Functional Materials and their Thermochemistry, Ab-initio Molecular Dynamics, Density Functional Theory, Density Function Perturbation Theory, High-throughput Screening Methods, Electronic Structure Analysis, Optical, Phonon and Vibrational Properties Analysis, High-Temperature Thermochemical Properties Analysis.