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Personal profile

Personal Statement

I have been based in the Semiconductor Spectroscopy and Devices group in the department of Physics since 2005, providing a theoretical counterpart to the experimental activities of this group. At present my research activities are in three main areas of computational and theoretical nanoscience: Understanding optical and electron microscopy on the nanoscale; Developing and applying semi-empirical quantum mechanical modelling tools in quantum chemistry and condensed matter physics; Multiscale materials modelling of crystal growth and phase transitions.

I coordinate the 4th and 5th year undergraduate programmes in Physics, also teaching final year courses in computational physics, advanced solid state physics and nanoscience.

| e: benjamin.hourahine@strath.ac.uk | t: 0141 548 2325 | u: http://ssd.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.

Fingerprint Dive into the research topics where Ben Hourahine is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

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Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Projects 2004 2022

Research Output 1997 2020

Luminescence behaviour of semi-polar (10-11) InGaN/GaN "bow-tie" structures on patterned Si substrates

Bruckbauer, J., Trager-Cowan, C., Hourahine, B., Winkelmann, A., Vennéguès, P., Ipsen, A., Yu, X., Zhao, X., Wallace, M. J., Edwards, P. R., Naresh-Kumar, G., Hocker, M., Bauer, S., Müller, R., Bai, J., Thonke, K., Wang, T. & Martin, R. W., 17 Jan 2020, In : Journal of Applied Physics. 127, 3, 8 p.

Research output: Contribution to journalArticle

Open Access
quantum wells
2 Citations (Scopus)
8 Downloads (Pure)

Collapsed carbon nanotubes: from nano to mesoscale via density functional theory-based tight-binding objective molecular modeling

Xu, H., Drozdov, G., Hourahine, B., Jin Gyu, P., Sweat, R., Frauenheim, T. & Dumitrică, T., 31 Mar 2019, In : Carbon. 143, p. 786-792 7 p.

Research output: Contribution to journalArticle

Open Access
Carbon Nanotubes
Molecular modeling
Density functional theory
Carbon nanotubes
carbon nanotubes


Applications of principal modes to imaging, control and surface enhancement in nanoparticles

Author: McArthur, D., 1 Feb 2016

Supervisor: Papoff, F. (Supervisor) & Hourahine, B. (Supervisor)

Student thesis: Doctoral Thesis

Computer simulation of the growth of ice structures under astronomical conditions

Author: Miller, J. A., 1 Oct 2010

Supervisor: Hunt, N. (Supervisor) & Hourahine, B. (Supervisor)

Student thesis: Master's Thesis



Ben Hourahine (Recipient), 2007

Prize: Election to learned society

Activities 2000 2019

Large-Scale Benchmark of Electronic Structure Solvers with the ELSI Infrastructure

Victor Yu (Speaker), William Dawson (Contributor), Alberto Garcia (Contributor), Ville Havu (Contributor), Ben Hourahine (Contributor), William Huhn (Contributor), Mathias Jacquelin (Contributor), Weile Jia (Contributor), Murat Keceli (Contributor), Raul Laasner (Contributor), Yingzhou Li (Contributor), Jianfeng Lu (Contributor), Lin Lin (Contributor), Jose Roman (Contributor), Alvaro Vazquez-Mayagoitia (Contributor), Chao Yang (Contributor), Volker Blum (Contributor)
4 Mar 2019

Activity: Talk or presentation typesOral presentation

QNUK Level 3 First Aid at Work

Ben Hourahine (Recipient)
11 Jan 201811 Jan 2021

Activity: Other activity typesOther