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B. Hourahine

University of Strathclyde

26H-index
135Paper Count
4.7KCitation Count
Published Papers 43
Publication Date
DSKO: Dancing through DFTB Parametrization
err2026-05-01
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errArtem Samtsevych; Yihua Song; Tammo van der Heide; Balint Aradi; Benjamin Hourahine; Reinhard J. Maurer; Karsten Reuter; Christoph Scheurer; Chiara Panosetti
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Investigation of (mis-)orientation in zincblende GaN grown on micro-patterned Si(001) using electron backscatter diffraction
err2025-01-27
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errWaters, Dale M.; Thompson, Bethany; Ferenczi, Gergely; Hourahine, Ben; Winkelmann, Aimo; Stark, Christoph J. M.; Wetzel, Christian; Trager-Cowan, Carol
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Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations
err2024-07-03
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errStishenko, Pavel; McSloy, Adam; Onat, Berk; Hourahine, Ben; Maurer, Reinhard J.; Kermode, James R.; Logsdail, Andrew
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Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
err2024-06-10
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PREAI
errTao, Yujun; Giese, Timothy J.; Ekesan, Solen; Zeng, Jinzhe; Aradi, Balint; Ben Hourahine; Aktulga, Hasan Metin; Gotz, Andreas W.; Merz Jr, Kenneth M.; York, Darrin M.
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Phonon-induced band gap renormalization by dielectric dependent global hybrid density functional tight binding
err2024-06-03
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errvan der Heide, Tammo; Hourahine, Ben; Aradi, Balint; Frauenheim, Thomas; Niehaus, Thomas A.
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Towards spin state tailoring of charged excitons in InGaAs quantum dots using oblique magnetic fields
err2024-02-27
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errBarr, K.; Hourahine, B.; Schneider, C.; Hoefling, S.; Lagoudakis, K. G.
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Modern semiempirical electronic structure methods
err2024-01-24
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errOAAI
errDral, Pavlo O.; Hourahine, Ben; Grimme, Stefan
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Hybrid functionals for periodic systems in the density functional tight-binding method
err2023-06-06
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errvan der Heide, Tammo; Aradi, Balint; Hourahine, Ben; Frauenheim, Thomas; Niehaus, Thomas A.
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Mechanism of proton-coupled electron transfer described with QM/MM implementation of coupled-perturbed density-functional tight-binding
err2023-03-22
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errOAAI
errMaag, Denis; Boeser, Josua; Witek, Henryk A.; Hourahine, Ben; Elstner, Marcus; Kubar, Tomas
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Accelerating the density-functional tight-binding method using graphical processing units
err2023-02-24
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errVuong, Van-Quan; Cevallos, Caterina; Hourahine, Ben; Aradi, Balint; Jakowski, Jacek; Irle, Stephan; Camacho, Cristopher
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DFTB+, a software package for efficient approximate density functional theory based atomistic simulations (vol 152, 124101, 2020)
err2022-07-18
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errHourahine, B.; Aradi, B.; Blum, V.; Bonafe, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitrica, T.; Dominguez, A.; Ehlert, S.; Elstner, M.; van der Heide, T.; Hermann, J.; Irle, S.; Jakowski, J.; Kranz, J. J.; Koehler, C.; Kowalczyk, T.; Kubar, T.; Lee, I. S.; Lutsker, V.; Maurer, R. J.; Min, S. K.; Mitchell, I.; Negre, C.; Niehaus, T. A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; Rezac, J.; Sanchez, C. G.; Sternberg, M.; Stohr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W. -Z.; Frauenheim, T.
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ELSI - An open infrastructure for electronic structure solvers
err2020-11-01
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errYu, Victor Wen-zhe; Campos, Carmen; Dawson, William; Garcia, Alberto; Havu, Ville; Hourahine, Ben; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Keceli, Murat; Laasner, Raul; Li, Yingzhou; Lin, Lin; Lu, Jianfeng; Moussa, Jonathan; Roman, Jose E.; Vazquez-Mayagoitia, Alvaro; Yang, Chao; Blum, Volker
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A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron-Nuclear Dynamics and Pump-Probe Spectroscopy Simulations
err2020-06-08
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errBonafe, Franco P.; Aradi, Balint; Hourahine, Ben; Medrano, Carlos R.; Hernandez, Federico J.; Frauenheim, Thomas; Sanchez, Cristian G.
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DFTB plus , a software package for efficient approximate density functional theory based atomistic simulations
err2020-03-23
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errOAAI
errHourahine, B.; Aradi, B.; Blum, V.; Bonafe, F.; Buccheri, A.; Camacho, C.; Cevallos, C.; Deshaye, M. Y.; Dumitrica, T.; Dominguez, A.; Ehlert, S.; Elstner, M.; van der Heide, T.; Hermann, J.; Irle, S.; Kranz, J. J.; Koehler, C.; Kowalczyk, T.; Kubar, T.; Lee, I. S.; Lutsker, V.; Maurer, R. J.; Min, S. K.; Mitchell, I.; Negre, C.; Niehaus, T. A.; Niklasson, A. M. N.; Page, A. J.; Pecchia, A.; Penazzi, G.; Persson, M. P.; Rezac, J.; Sanchez, C. G.; Sternberg, M.; Stoehr, M.; Stuckenberg, F.; Tkatchenko, A.; Yu, V. W. -z.; Frauenheim, T.
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Subgrain structure and dislocations in WC-Co hard metals revealed by electron channelling contrast imaging
err2020-02-01
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errJablon, B. M.; Mingard, K.; Winkelmann, A.; Naresh-Kumar, G.; Hourahine, B.; Trager-Cowan, C.
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New density-functional approximations and beyond: general discussion
err2020-01-01
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PREAI
errBrandenburg, Jan Gerit; Burke, Kieron; Cancio, Antonio; Erhard, Jannis; Fromager, Emmanuel; Ghosal, Abhisek; Gidopoulos, Nikitas; Gori-Giorgi, Paola; Helgaker, Trygve; Hourahine, Ben; Jacob, Christoph R.; Kooi, Derk; Maitra, Neepa; Mulay, Manasi R.; Pernal, Katarzyna; Pribram-Jones, Aurora; Reining, Lucia; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Skylaris, Chris-Kriton; Teale, Andrew M.; Tozer, David; Truhlar, Donald G.; Yang, Weitao
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Challenges for large scale simulation: general discussion
err2020-01-01
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PREAI
errBrandenburg, Jan Gerit; Burke, Kieron; Civalleri, Bartolomeo; Cole, Daniel J.; Csanyi, Gabor; David, Gregoire; Gidopoulos, Nikitas I.; Gowland, Duncan; Helgaker, Trygve; Herbst, Michael F.; Hourahine, Ben; Irons, Tom J. P.; Jacob, Christoph R.; Loos, Pierre-Francois; Mehta, Nisha; Mulay, Manasi R.; Neugebauer, Johannes; Pernal, Katarzyna; Pribram-Jones, Aurora; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Sirbu, Dumitru; Skylaris, Chris-Kriton; Truhlar, Donald G.; Wetherell, Jack; Yang, Weitao
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Scanning electron microscope as a flexible tool for investigating the properties of UV-emitting nitride semiconductor thin films
err2019-10-30
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errTrager-Cowan, C.; Alasmari, A.; Avis, W.; Bruckbauer, J.; Edwards, P. R.; Hourahine, B.; Kraeusel, S.; Kusch, G.; Johnston, R.; Naresh-Kumar, G.; Martin, R. W.; Nouf-Allehiani, M.; Pascal, E.; Spasevski, L.; Thomson, D.; Vespucci, S.; Parbrook, P. J.; Smith, M. D.; Enslin, J.; Mehnke, F.; Kneissl, M.; Kuhn, C.; Wernicke, T.; Hagedorn, S.; Knauer, A.; Kueller, V.; Walde, S.; Weyers, M.; Coulon, P. -M.; Shields, P. A.; Zhang, Y.; Jiu, L.; Gong, Y.; Smith, R. M.; Wang, T.; Winkelmann, A.
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Determining GaN Nanowire Polarity and its Influence on Light Emission in the Scanning Electron Microscope
err2019-04-30
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errNaresh-Kumar, G.; Bruckbauer, J.; Winkelmann, A.; Yu, X.; Hourahine, B.; Edwards, P. R.; Wang, T.; Trager-Cowan, C.; Martin, R. W.
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Enhancing ultraviolet spontaneous emission with a designed quantum vacuum (vol 25, pg 4162, 2017)
err2017-08-18
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errMcArthur, Duncan; Hourahine, Benjamin; Papoff, Francesco
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