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David S. D. Gunn

Observed names: D. S. D. Gunn, D.S.D. Gunn, David Gunn, David S D Gunn, David S.D. Gunn
ORCID: 0000-0002-2282-4719
Observed ORCID: 0000-0002-2282-4719
OpenAlex ID: A5037162000
Multiscale QM/MM modelling of catalytic systems with ChemShell
2023 · You Lu, Kakali Sen, et al. · Physical Chemistry Chemical Physics · 61
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Novel potentials for modelling defect formation and oxygen vacancy migration in Gd2Ti2O7 and Gd2Zr2O7 pyrochlores
2012 · David S. D. Gunn, Neil L. Allan, et al. · Journal of Materials Chemistry · 56
Accuracy of Hybrid Functionals with Non-Self-Consistent Kohn–Sham Orbitals for Predicting the Properties of Semiconductors
2020 · Jonathan M. Skelton, David S. D. Gunn, et al. · Journal of Chemical Theory and Computation · 36
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Simulations of doped CeO2 at finite dopant concentrations
2016 · John A. Purton, Neil L. Allan, et al. · Solid State Ionics · 25
Adaptive kinetic Monte Carlo simulation of solid oxide fuel cell components
2014 · David S. D. Gunn, Neil L. Allan, et al. · Journal of Materials Chemistry A · 25
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Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}
2013 · Kristine Liao, Vittorio Fiorin, et al. · Physical Chemistry Chemical Physics · 24
Growth of nano-domains in Gd–CeO 2 mixtures: hybrid Monte Carlo simulations
2016 · John A. Purton, Adam Archer, et al. · Journal of Materials Chemistry A · 23
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Exploring Fuel Cell Cathode Materials: A High Throughput Calculation Approach
2009 · Jacob Gavartin, Misbah Sarwar, et al. · ECS Transactions · 18
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Thermodynamics, Electronic Structure, and Vibrational Properties of Sn n (S1– x Se x ) m Solid Solutions for Energy Applications
2019 · David S. D. Gunn, Jonathan M. Skelton, et al. · Chemistry of Materials · 16
Phase Behavior of Alkyl Ethoxylate Surfactants in a Dissipative Particle Dynamics Model
2023 · Richard L. Anderson, David S. D. Gunn, et al. · The Journal of Physical Chemistry B · 13
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Monte Carlo simulations of gadolinium doped ceria surfaces
2018 · David S.D. Gunn, John A. Purton, et al. · Solid State Ionics · 12
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Order parameter and connectivity topology analysis of crystalline ceramics for nuclear waste immobilization
2014 · Adam Archer, Henry R Foxhall, et al. · Journal of Physics Condensed Matter · 11
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Adsorbate modification of the structural, electronic, and magnetic properties of ferromagnetic fcc {110} surfaces
2011 · D. S. D. Gunn, Stephen J. Jenkins · Physical Review B · 10
Chemically selective modification of spin polarization in ultrathin ferromagnetic films: Microscopic theory and macroscopic experiment
2009 · K. P. Kopper, D. Küpper, et al. · Physical Review B · 7
Adsorbate influence on the coercive field of ultrathin Co/Cu{110}
2009 · D.S.D. Gunn, D. Küpper, et al. · Surface Science · 7
Multiple cascade radiation damage simulations of pyrochlore
2020 · A. Archer, H. R. Foxhall, et al. · Molecular Simulation · 4
Simulating Radiation-Induced Defect Formation in Pyrochlores
2013 · David S.D. Gunn, John A. Purton, et al. · MRS Proceedings
Exploring Fuel Cell Cathode Materials with Ab Initio High Throughput Calculations
2009 · Jacob Gavartin, Misbah Sarwar, et al. · ECS Meeting Abstracts
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Works count: 18
Citation count: 348
H-index: 11
I10-index: 13
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