引用次数
引用: 3,948
H-指数: 12
I10-指数 : 13
出版物: 25
Low-Cost Descriptors of Electrostatic and Electronic Contributions to Anion Redox Activity in Batteries
Daniel W Davies , Benjamin J Morgan , David O Scanlon , Aron Walsh
IOP SciNotes 1 ( 2) 024805
2020
Accessible chemical space for metal nitride perovskites
Bastien F Grosso , Daniel W Davies , Bonan Zhu , Aron Walsh
Chemical Science 14 ( 34) 9175 -9185
2
2023
Computational Screening of All Stoichiometric Inorganic Materials.
Daniel W Davies , Keith T Butler , Adam J Jackson , Andrew Morris
Chem 1 ( 4) 617 -627
46
2016
Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure
Daniel W Davies , Keith T Butler , Jonathan M Skelton , Congwei Xie
Chemical Science 9 ( 4) 1022 -1030
25
2018
Identification of lone-pair surface states on indium oxide
Katariina Pussi , Daniel W Davies , Aron Walsh , James J Mudd
The Journal of Physical Chemistry C 123 ( 3) 1700 -1709
18
2018
Low electronic conductivity of Li 7 La 3 Zr 2 O 12 solid electrolytes from first principles
Alexander G Squires , Daniel W Davies , Sunghyun Kim , David O Scanlon
Physical Review Materials 6 ( 8) 085401 -085401
14
2022
Computational Design of Photovoltaic Materials
Keith T Butler , Daniel W Davies , Aron Walsh ,
4
2018
ThermoParser: Streamlined analysis of thermoelectric properties
Kieran B Spooner , Maud Einhorn , Daniel W Davies , David O Scanlon
Journal of Open Source Software 9 ( 97) 6340 -6340
3
2024
Investigation of factors affecting the stability of compounds formed by isovalent substitution in layered oxychalcogenides, leading to identification of Ba 3 Sc 2 O 5 Cu 2 Se 2, Ba 3 Y 2 O 5 Cu 2 S 2, Ba 3 Sc 2 O 5 Ag 2 Se 2 and Ba 3 In 2 O 5 Ag 2 Se 2
Gregory J Limburn , Daniel W Davies , Neil Langridge , Zahida Malik
Journal of Materials Chemistry C 10 ( 10) 3784 -3795
2
2022
Machine learning for molecular and materials science.
Keith T Butler , Daniel W Davies , Hugh Cartwright , Olexandr Isayev
Nature 559 ( 7715) 547 -555
2,219
2018
Data-Driven Discovery of Photoactive Quaternary Oxides Using First-Principles Machine Learning
Daniel W Davies , Keith T Butler , Aron Walsh ,
Chemistry of Materials 31 ( 18) 7221 -7230
11
2019
SMACT: Semiconducting Materials by Analogy and Chemical Theory
Daniel W Davies , Keith T Butler , Adam J Jackson , Jonathan M Skelton
Journal of Open Source Software 4 ( 38) 1361
8
2019
Materials discovery by chemical analogy: role of oxidation states in structure prediction.
Daniel W Davies , Keith T Butler , Olexandr Isayev , Aron Walsh
Faraday Discussions 211 553 -568
13
2018
Bandgap Lowering in Mixed Alloys of Cs2Ag(SbxBi1-x)Br6 Double Perovskite Thin Films
Zewei Li , Seán R Kavanagh , Mari Napari , Robert G Palgrave
Unknown Journal
41
2020
Exploiting Vector Pattern Diversity of Molecular Scaffolds for Cheminformatics Tasks in Drug Discovery
Daniela Dolciami , Robert M Ziolek , Daniel W Davies , Michael Carter
Journal of Chemical Information and Modeling 64 ( 6) 1966 -1974
2024
Modelling the dielectric constants of crystals using machine learning
Kazuki Morita , Daniel W Davies , Keith T Butler , Aron Walsh
Journal of Chemical Physics 153 024503 -024503
39
2020
Descriptors for electron and hole charge carriers in metal oxides
Daniel W Davies , Christopher N Savory , Jarvist M Frost , David O Scanlon
ChemRxiv
26
2019
Breaking the aristotype: featurisation of polyhedral distortions in perovskite crystals
Kazuki Morita , Daniel Davies , Keith Butler , Aron Walsh
Chemistry of Materials 34 ( 2) 562 -573
11
2022
From chemical and structural considerations to new stable nitride perovskites: a high throughput study
Bastien Grosso , Daniel Davies , Bonan Zhu , Aron Walsh
Bulletin of the American Physical Society
2023
Descriptors for Electron and Hole Charge Carriers in Metal Oxides: Calculations Dataset
DW Davies , CN Savory , J Frost , DO Scanlon