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Benjamin Hourahine

University Of Strathclyde

United Kingdom

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Research Interests

Physical Chemistry

40%

Condensed Matter Physics

70%

Computational Chemistry

60%

Molecular Physics

50%

Semiconductor Physics

40%

Electronic Structure

40%

Density Functional Theory

30%

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Recent Grants

Grant: Close

Nanoscale characterisation of nitride semiconductor thin films using EBSD, ECCI, CL and EBIC.

Open Date: 2012-06-30

Close Date: 2016-06-29

Grant: Close

Nanoscale characterisation of nitride semiconductor thin films using EBSD, ECCI, CL and EBIC.

Open Date: 2012-06-30

Close Date: 2016-06-29

Articles20

Investigation of (mis-)orientation in zincblende GaN grown on micro-patterned Si(001) using electron backscatter diffraction

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Year:

2025

Strain and luminescence properties of hexagonal hillocks in N-polar GaN

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Year:

2025

Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations

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Year:

2025

Modern semiempirical electronic structure methods

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Year:

2024

Roadmap on methods and software for electronic structure based simulations in chemistry and materials

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Year:

2024

Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials

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Year:

2024

Towards spin state tailoring of charged excitons in InGaAs quantum dots using oblique magnetic fields

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Year:

2024

Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations

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Year:

2024

Atomic scale observation of threading dislocations in α-Ga2O3

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Year:

2024

Phonon-induced band gap renormalization by dielectric dependent global hybrid density functional tight binding

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Year:

2024

Atomic Simulation Interface (ASI): application programming interface for electronic structure codes

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Year:

2023

Hybrid functionals for periodic systems in the density functional tight-binding method

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Year:

2023

Mechanism of proton-coupled electron transfer described with QM/MM implementation of coupled-perturbed density-functional tight-binding

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Year:

2023

Accelerating the density-functional tight-binding method using graphical processing units

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Year:

2023

Non-destructive imaging of residual strains in GaN and their effect on optical and electrical properties using correlative light–electron microscopy

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Year:

2022

Kikuchi pattern simulations of backscattered and transmitted electrons

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Year:

2021

ELSI -- An open infrastructure for electronic structure solvers

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Year:

2020

Anomalous Ising freezing times

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Year:

2020

A real-time time-dependent density functional tight-binding implementation for semiclassical excited state electron-nuclear dynamics and pump-probe spectroscopy simulations

Article Link

Year:

2020

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

Article Link

Year:

2020

Collaborators25

Andrew Logsdail

Senior Lecturer in Catalytic and Computational Chemistry

Cardiff University

UNITED KINGDOM

Reinhard Maurer

Professor of Computational Chemistry

University of Warwick

UNITED KINGDOM

Konstantinos G. Lagoudakis

Reader (Associate Professor)

University Of Strathclyde

UNITED KINGDOM

Hasan Metin Aktulga

UNITED STATES

Bálint Aradi

University of Bremen

GERMANY

Denis Mario Maag

Karlsruher Institut für Technologie

GERMANY

Scott M Woodley

University College London

UNITED KINGDOM

Susi Lehtola

University of Helsinki

FINLAND

Christian Wetzel

Professor

Rensselaer Polytechnic Institute

UNITED STATES

Roland Lindh

SWEDEN

Andrei Sarua

Senior Lecturer

University of Bristol

UNITED KINGDOM

Tao Wang

University of Sheffield

UNITED KINGDOM

Lucas Visscher

University of Amsterdam

NETHERLANDS

Philip Shields

University of Bath

UNITED KINGDOM

Rachel A. Oliver

UNITED KINGDOM

Stefan Blügel

Institute Director & Professor at RWTH-Aachen University

Forschungszentrum Jülich

GERMANY

Naresh Gunasekar

Lecturer

Cardiff University

UNITED KINGDOM

Darrin York

Distinguished Professor and Henry Rutgers Chair

Rutgers University

UNITED STATES

Tobias Melson

Max Planck Institute

GERMANY

Robert Martin

University Of Strathclyde

UNITED KINGDOM

Stefan Grimme

GERMANY

Angus J. Wilkinson

UNITED KINGDOM

Volker Blum

Associate Professor

Duke University

UNITED STATES

Kenneth Merz

Michigan State University

UNITED STATES

Carol Trager-Cowan

University Of Strathclyde

UNITED KINGDOM

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