Projects per year
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@example.com | t: 0141 548 2325 | u: cnqo.phys.strath.ac.uk |
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.
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- 11 Finished
Doctoral Training Partnership 2018-19 University of Strathclyde | Starosta, Bohdan
Hourahine, B., Edwards, P. & Starosta, B.
EPSRC (Engineering and Physical Sciences Research Council)
1/10/18 → 1/08/22
Project: Research Studentship - Internally Allocated
Mechanism of proton-coupled electron transfer described with QM/MM implementation of coupled-perturbed density-functional tight-bindingMaag, D., Böser, J., Witek, H. A., Hourahine, B., Elstner, M. & Kubař, T., 2 Mar 2023, (E-pub ahead of print) In: Journal of Chemical Physics. 10 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile1 Downloads (Pure)
Hybrid functionals for periodic systems in the density functional tight-binding methodHeide, T. V. D., Aradi, B., Hourahine, B., Frauenheim, T. & Niehaus, T. A., 24 Feb 2023, (Submitted) Ithaca, N.Y., 15 p.
Research output: Working paper › Working Paper/PreprintFile3 Downloads (Pure)
Data for: "Anomalous Ising freezing times"
Denholm, J. (Creator) & Hourahine, B. (Supervisor), University of Strathclyde, 15 Sep 2020
Data for: "Determining GaN nanowire polarity and its influence on light emission in the scanning electron microscope"
Gunasekar, N. (Creator), Bruckbauer, J. (Creator), Winkelmann, A. (Contributor), Edwards, P. (Contributor), Hourahine, B. (Contributor), Trager-Cowan, C. (Contributor), Martin, R. (Supervisor) & Wang, T. (Creator), University of Strathclyde, 29 Apr 2019
Being slightly wrong for fun and profit: large scale semi-empirical modelling of materials
Ben Hourahine (Speaker)3 Aug 2020
Activity: Talk or presentation types › Oral presentation
Recent DFTB+ news
Ben Hourahine (Speaker)28 Jul 2020
Activity: Talk or presentation types › Invited talk