Articles with public access mandates - Neil AllanLearn more
Not available anywhere: 2
Simulation Studies of the Phase Stability of the Ruddlesden–Popper Phases
AHH Ramadan, NL Allan, RA De Souza
Journal of the American Ceramic Society 96 (7), 2316-2321, 2013
Mandates: German Research Foundation
Local Environments in Inorganic Solids: From Fast-Ion Conduction to Radiation Damage in Oxides
NL Allan, A Archer, CE Mohn
Theoretical and Quantum Chemistry at the Dawn of the 21st Century, 685-702, 2018
Mandates: UK Engineering and Physical Sciences Research Council
Available somewhere: 40
Dynamics of organizational culture: Individual beliefs vs. social conformity
C Ellinas, N Allan, A Johansson
PloS one 12 (6), e0180193, 2017
Mandates: UK Engineering and Physical Sciences Research Council
Molecular hydrogen storage in fullerenes–A dispersion-corrected density functional theory study
DJ Durbin, NL Allan, C Malardier-Jugroot
International Journal of Hydrogen Energy 41 (30), 13116-13130, 2016
Mandates: Natural Sciences and Engineering Research Council of Canada
Toward project complexity evaluation: A structural perspective
C Ellinas, N Allan, A Johansson
IEEE Systems Journal 12 (1), 228-239, 2016
Mandates: UK Engineering and Physical Sciences Research Council
Activity–composition relations in the system CaCO3–MgCO3 predicted from static structure energy calculations and Monte Carlo simulations
VL Vinograd, BP Burton, JD Gale, NL Allan, B Winkler
Geochimica et Cosmochimica Acta 71 (4), 974-983, 2007
Mandates: German Research Foundation
Three-dimensional kinetic Monte Carlo simulations of diamond chemical vapor deposition
WJ Rodgers, PW May, NL Allan, JN Harvey
The Journal of chemical physics 142 (21), 2015
Mandates: UK Engineering and Physical Sciences Research Council
How robust is your project? From local failures to global catastrophes: A complex networks approach to project systemic risk
C Ellinas, N Allan, C Durugbo, A Johansson
PloS one 10 (11), e0142469, 2015
Mandates: UK Engineering and Physical Sciences Research Council
Project systemic risk: Application examples of a network model
C Ellinas, N Allan, A Johansson
International Journal of Production Economics 182, 50-62, 2016
Mandates: UK Engineering and Physical Sciences Research Council
Negative electron affinity from aluminium on the diamond (1 0 0) surface: a theoretical study
MC James, A Croot, PW May, NL Allan
Journal of Physics: Condensed Matter 30 (23), 235002, 2018
Mandates: UK Engineering and Physical Sciences Research Council
Adaptive kinetic Monte Carlo simulation of solid oxide fuel cell components
DSD Gunn, NL Allan, JA Purton
Journal of Materials Chemistry A 2 (33), 13407-13414, 2014
Mandates: UK Engineering and Physical Sciences Research Council
Growth of nano-domains in Gd–CeO 2 mixtures: hybrid Monte Carlo simulations
JA Purton, A Archer, NL Allan, DSD Gunn
Journal of Materials Chemistry A 4 (12), 4592-4602, 2016
Mandates: UK Science and Technology Facilities Council
Simulations of doped CeO2 at finite dopant concentrations
JA Purton, NL Allan, DSD Gunn
Solid State Ionics 299, 32-37, 2017
Mandates: UK Engineering and Physical Sciences Research Council
Hunting the elusive shallow n-type donor–An ab initio study of Li and N co-doped diamond
S Conejeros, MZ Othman, A Croot, JN Hart, KM O’Donnell, PW May, ...
Carbon 171, 857-868, 2021
Mandates: UK Engineering and Physical Sciences Research Council
Mixing thermodynamics and photocatalytic properties of GaP–ZnS solid solutions
J Shenoy, JN Hart, R Grau‐Crespo, NL Allan, C Cazorla
Advanced Theory and Simulations 2 (3), 1800146, 2019
Mandates: Australian Research Council
A theoretical study of substitutional boron–nitrogen clusters in diamond
A Croot, MZ Othman, S Conejeros, NA Fox, NL Allan
Journal of Physics: Condensed Matter 30 (42), 425501, 2018
Mandates: UK Engineering and Physical Sciences Research Council
Energy transfer, structural and luminescent properties of the color tunable phosphor Y2WO6: Sm3+
D Espinoza, NL Allan, R Castillo, S Conejeros, I Brito, IR Martin, ...
Journal of Alloys and Compounds 835, 155381, 2020
Mandates: Government of Spain
Ab initio study of negative electron affinity from light metals on the oxygen-terminated diamond (1 1 1) surface
MC James, PW May, NL Allan
Journal of Physics: Condensed Matter 31 (29), 295002, 2019
Mandates: UK Engineering and Physical Sciences Research Council
Piezoelectric effects in boron nitride nanotubes predicted by the atomistic finite element method and molecular mechanics
M Tolladay, D Ivanov, NL Allan, F Scarpa
Nanotechnology 28 (35), 355705, 2017
Mandates: UK Engineering and Physical Sciences Research Council
Order parameter and connectivity topology analysis of crystalline ceramics for nuclear waste immobilization
A Archer, HR Foxhall, NL Allan, DSD Gunn, JH Harding, IT Todorov, ...
Journal of Physics: Condensed Matter 26 (48), 485011, 2014
Mandates: UK Engineering and Physical Sciences Research Council
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