Projects per year
Personal profile
Personal Statement
I have been based in the Semiconductor Spectroscopy and Devices group in the department of Physics since 2005, moving to the CNQO group within the Optics division in 2022.
At present my research activities are in three main areas of computational and theoretical modelling: Understanding optical and electron microscopy on the micro - to nano-scale; Developing and applying semi-empirical quantum mechanical modelling tools in quantum chemistry and condensed matter physics going from the nano- to the micro-scale; Multiscale materials modelling of crystal growth and phase transitions.
I'm the director of student support for the Physics department, and also teach final year courses in advanced solid state physics and nanoscience.
| e: [email protected] | t: 0141 548 2325 | u: cnqo.phys.strath.ac.uk |
Industrial Relevance
The large scale materials science and quantum-chemistry package I co-develop ( DFTB+ ) is commercially licensed to companies including BIOVIA.
Expertise & Capabilities
Theoretical solid state and condensed matter physics
Quantum chemstry and computational chemistry
High performance and accuracy Nano-Photonics and Plasmonics
Large scale density functional and density functional-based methods
Joint developer of commercialised materials science / quantum chemistry software
Extensive experience with large scale parallel computational systems - developed TIER 0 ready multi-thousand compute core codes.
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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- 1 Similar Profiles
Collaborations and top research areas from the last five years
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DTP 2224 University of Strathclyde | Holmes, Aaron Finley
Hourahine, B. (Principal Investigator), Trager-Cowan, C. (Co-investigator) & Holmes, A. F. (Research Co-investigator)
EPSRC (Engineering and Physical Sciences Research Council)
1/02/24 → 1/08/27
Project: Research Studentship - Internally Allocated
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Deep-Learning-Enhanced quantum Chemistry: Pushing the limits of materials discovery
Hourahine, B. (Principal Investigator)
EPSRC (Engineering and Physical Sciences Research Council)
1/07/19 → 31/12/19
Project: Research
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Investigation of (mis-)orientation in zincblende GaN grown on micro-patterned Si(001) using electron backscatter diffraction
Waters, D. M., Thompson, B., Ferenczi, G., Hourahine, B., Cios, G., Winkelmann, A., Stark, C. J. M., Wetzel, C., Trager-Cowan, C. & Bruckbauer, J., 27 Jan 2025, In: Journal of Applied Physics. 137, 4, 13 p., 045701.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Downloads (Pure) -
Roadmap on methods and software for electronic structure based simulations in chemistry and materials
Blum, V., Asahi, R., Autschbach, J., Bannwarth, C., Bihlmayer, G., Blügel, S., Burns, L. A., Crawford, T. D., Dawson, W., de Jong, W. A., Draxl, C., Filippi, C., Genovese, L., Giannozzi, P., Govind, N., Hammes-Schiffer, S., Hammond, J. R., Hourahine, B., Jain, A. & Kanai, Y. & 31 others, , 1 Dec 2024, In: Electronic Structure. 6, 4, 60 p., 042501.Research output: Contribution to journal › Article › peer-review
Open AccessFile2 Citations (Scopus)22 Downloads (Pure)
Datasets
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Data for: "Subgrain structure and dislocations in WC-Co hard metals revealed by electron channelling contrast imaging"
Jablon, B. M. (Creator), Mingard, K. (Creator), Winkelmann, A. (Creator), Gunasekar, N. (Creator), Hourahine, B. (Creator) & Trager-Cowan, C. (Creator), University of Strathclyde, 18 Dec 2019
DOI: 10.15129/c80a3a0c-a718-4941-ac82-8981d21799ce
Dataset
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Data for: “Scanning electron microscopy as a flexible technique for investigating the properties of UV-emitting nitride semiconductor thin films”
Trager-Cowan, C. (Creator), Alasmari, A. M. A. (Creator), Avis, W. (Contributor), Bruckbauer, J. (Creator), Edwards, P. (Contributor), Hourahine, B. (Contributor), Kraeusel, S. (Contributor), Kusch, G. (Creator), Johnston, R. (Contributor), Gunasekar, N. (Creator), Martin, R. (Contributor), Mohammad S, A. (Creator), Pascal, E. (Contributor), Spasevski, L. (Creator), Thomson, D. (Contributor), Vespucci, S. (Contributor), Parbrook, P. (Contributor), Smith, M. (Contributor), Enslin, J. (Contributor), Mehnke, F. (Contributor), Kneissl, M. (Contributor), Kuhn, C. (Contributor), Wernicke, T. (Contributor), Hagedorn, S. (Contributor), Knauer, A. (Contributor), Kueller, V. (Contributor), Walde, S. (Contributor), Weyers, M. (Contributor), Coulon, P.-M. (Creator), Shields, P. (Contributor), Zhang, Y. (Contributor), Jiu, L. (Contributor), Gong, Y. (Contributor), Smith, R. M. (Contributor), Wang, T. (Contributor) & Winkelmann, A. (Creator), University of Strathclyde, 28 Oct 2019
DOI: 10.15129/b5238863-a088-4f30-8b13-2625260eb73a
Dataset
Prizes
Activities
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Plenary talk: XVIIIth International Conference on Electron Microscopy, Zakopane, Poland, June 2024. Pushing the Limits of Diffraction Imaging in the Scanning Electron microscope for the Structural Characterisation of Semiconductor thin Films and Microstructures
Trager-Cowan, C. (Invited speaker), Bruckbauer, J. (Contributor), Hiller, K. (Contributor), Hourahine, B. (Contributor), McDermott, R. (Contributor), Waters, D. (Contributor), Alasmari, A. M. A. (Contributor), Gunasekar, N. (Contributor), Cios, G. (Contributor) & Winkelmann, A. (Contributor)
10 Jun 2024Activity: Talk or presentation types › Invited talk
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Invited Talk: Materials Research Society Fall Meeting, US, December 2023. Title: Pushing the Limits of Diffraction Imaging in the Scanning Electron Microscope for the Structural Characterisation of Semiconductor Thin Films and Microstructures
Trager-Cowan, C. (Speaker), Bruckbauer, J. (Contributor), McDermott, R. (Contributor), Waters, D. (Contributor), Hiller, K. (Contributor), Hourahine, B. (Contributor), Cios, G. (Contributor) & Winkelmann, A. (Contributor)
1 Dec 2023Activity: Talk or presentation types › Invited talk