Статии с изисквания за обществен достъп - Daniel W. DaviesНаучете повече
Не е налице никъде: 1
Computational Design of Photovoltaic Materials
KT Butler, DW Davies, A Walsh
Computational Materials Discovery, 176-197, 2019
Изисквания: UK Engineering and Physical Sciences Research Council
Налице някъде: 17
Machine learning for molecular and materials science
KT Butler, DW Davies, H Cartwright, O Isayev, A Walsh
Nature 559, 547-555, 2018
Изисквания: US Department of Defense, UK Engineering and Physical Sciences Research Council
Computational Screening of All Stoichiometric Inorganic Materials
DW Davies, KT Butler, AJ Jackson, A Morris, JM Frost, JM Skelton, ...
Chem 1 (4), 617-627, 2016
Изисквания: UK Engineering and Physical Sciences Research Council, European Commission
Bandgap lowering in mixed alloys of Cs 2 Ag (Sb x Bi 1− x) Br 6 double perovskite thin films
Z Li, SR Kavanagh, M Napari, RG Palgrave, M Abdi-Jalebi, ...
Journal of Materials Chemistry A 8 (41), 21780-21788, 2020
Изисквания: UK Engineering and Physical Sciences Research Council, European Commission
Computer-aided design of metal chalcohalide semiconductors: From chemical composition to crystal structure
DW Davies, KT Butler, JM Skelton, C Xie, AR Oganov, A Walsh
Chemical Science 9, 1022-1030, 2018
Изисквания: UK Engineering and Physical Sciences Research Council
Modelling the dielectric constants of crystals using machine learning
K Morita, DW Davies, KT Butler, A Walsh
Journal of Chemical Physics 153, 024503, 2020
Изисквания: UK Engineering and Physical Sciences Research Council
Data-driven Discovery of Photoactive Quaternary Oxides using First-principles Machine Learning
DW Davies, KT Butler, A Walsh
Chemistry of Materials, 2019
Изисквания: UK Engineering and Physical Sciences Research Council, Royal Society UK
Materials Discovery by Chemical Analogy: Role of Oxidation States in Structure Prediction
DW Davies, KT Butler, O Isayev, A Walsh
Faraday Discussions, 2018
Изисквания: UK Engineering and Physical Sciences Research Council
Descriptors for electron and hole charge carriers in metal oxides
DW Davies, CN Savory, JM Frost, DO Scanlon, BJ Morgan, A Walsh
The Journal of Physical Chemistry Letters 11 (2), 438-444, 2019
Изисквания: UK Engineering and Physical Sciences Research Council, European Commission …
Surfaxe: Systematic Surface Calculations
K Brlec, DW Davies, DO Scanlon
Journal of Open Source Software 6 (61), 3171, 2021
Изисквания: European Commission
Identification of Lone-Pair Surface States on Indium Oxide
DW Davies, A Walsh, JJ Mudd, CF McConville, A Regoutz, JM Kahk, ...
Journal of Physical Chemistry C, 2019
Изисквания: Academy of Finland, UK Engineering and Physical Sciences Research Council
Low electronic conductivity of solid electrolytes from first principles
AG Squires, DW Davies, S Kim, DO Scanlon, A Walsh, BJ Morgan
Physical Review Materials 6 (8), 085401, 2022
Изисквания: UK Engineering and Physical Sciences Research Council, European Commission …
Breaking the aristotype: featurisation of polyhedral distortions in perovskite crystals
K Morita, D Davies, K Butler, A Walsh
Chemistry of Materials 34 (2), 562-573, 2022
Изисквания: UK Engineering and Physical Sciences Research Council
Accessible chemical space for metal nitride perovskites
BF Grosso, DW Davies, B Zhu, A Walsh, DO Scanlon
Chemical Science 14, 9175-9185, 2023
Изисквания: UK Engineering and Physical Sciences Research Council
Low-cost descriptors of electrostatic and electronic contributions to anion redox activity in batteries
DW Davies, BJ Morgan, DO Scanlon, A Walsh
IOP SciNotes 1 (2), 024805, 2020
Изисквания: UK Engineering and Physical Sciences Research Council, UK Research …
ThermoParser: Streamlined analysis of thermoelectric properties
KB Spooner, M Einhorn, DW Davies, DO Scanlon
Journal of Open Source Software 9 (97), 6340, 2024
Изисквания: UK Engineering and Physical Sciences Research Council, UK Research & Innovation
Investigation of Factors Affecting the Stability of Compounds formed by Isovalent Substitution in Layered Oxychalcogenides, Leading to Identification of Ba3Sc2O5Cu2Se2 …
G Limburn, D Davies, N Langridge, Z Malik, B Williamson, DO Scanlon, ...
Journal of Materials Chemistry C, 2022
Изисквания: UK Engineering and Physical Sciences Research Council, European Commission …
Cation-eutaxy-enabled III–V-derived van der Waals crystals as memristive semiconductors
J Bae, J Won, T Kim, S Choi, H Kim, SHV Oh, G Lee, E Lee, S Jeon, ...
Nature Materials, 1-9, 2024
Изисквания: UK Engineering and Physical Sciences Research Council
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