If you made any changes in Pure these will be visible here soon.

Fingerprint Dive into the research topics where Daniel Davies is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 9 Similar Profiles
Materials science Chemical Compounds
Screening Chemical Compounds
Learning systems Chemical Compounds
Crystal structure Chemical Compounds
Throughput Chemical Compounds
Chemical analysis Chemical Compounds
Computer aided design Chemical Compounds
Metals Chemical Compounds

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 2016 2019

Computational Design of Photovoltaic Materials

Davies, D., 2019, Computational Materials Discovery. RSC, p. 176-197

Research output: Chapter in Book/Report/Conference proceedingChapter

17 Downloads (Pure)

Identification of Lone-Pair Surface States on Indium Oxide

Davies, D. W., Walsh, A., Mudd, J. J., McConville, C. F., Regoutz, A., Kahk, J. M., Payne, D. J., Dhanak, V. R., Hesp, D., Pussi, K., Lee, T. L., Egdell, R. G. & Zhang, K. H. L., 24 Jan 2019, In : Journal of Physical Chemistry C. 123, 3, p. 1700-1709 10 p.

Research output: Contribution to journalArticle

Open Access

Applications of crystal structure prediction–inorganic and network structures: general discussion

Davies, D., 2018, In : Faraday Discussions. 211, p. 613-642 30 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)
21 Downloads (Pure)

Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure

Davies, D., Butler, K., Skelton, J., Xie, C., Oganov, A. & Walsh, A., 4 Jan 2018, In : Chemical Science. 9, 4, p. 1022 - 1030 9 p.

Research output: Contribution to journalArticle

Open Access
Computer aided design
Crystal structure
Semiconductor materials
Materials science
103 Citations (Scopus)
18 Downloads (Pure)

Machine learning for molecular and materials science

Butler, K. T., Davies, D. W., Cartwright, H., Isayev, O. & Walsh, A., 26 Jul 2018, In : Nature. 559, 7715, p. 547-555 9 p.

Research output: Contribution to journalReview article

Open Access
Materials science
Learning systems
Artificial intelligence
Direction compound


Materials discovery using chemical heuristics and high-throughput calculations

Author: Davies, D., 13 Feb 2019

Supervisor: Butler, K. (Supervisor), Walsh, A. (Supervisor) & Morgan, B. (Supervisor)

Student thesis: Doctoral ThesisPhD