Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.


The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page


My NCBI Filters

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2003 1
2004 1
2006 1
2007 1
2008 2
2009 1
2010 5
2012 1
2013 2
2014 5
2017 1
2018 6
2019 2
2020 1
2021 1
2023 3

Text availability

Article attribute

Article type

Publication date

Search Results

30 results

Results by year

Filters applied: . Clear all
Page 1
Multiscale QM/MM modelling of catalytic systems with ChemShell.
Lu Y, Sen K, Yong C, Gunn DSD, Purton JA, Guan J, Desmoutier A, Abdul Nasir J, Zhang X, Zhu L, Hou Q, Jackson-Masters J, Watts S, Hanson R, Thomas HN, Jayawardena O, Logsdail AJ, Woodley SM, Senn HM, Sherwood P, Catlow CRA, Sokol AA, Keal TW. Lu Y, et al. Among authors: woodley sm. Phys Chem Chem Phys. 2023 Aug 23;25(33):21816-21835. doi: 10.1039/d3cp00648d. Phys Chem Chem Phys. 2023. PMID: 37097706 Review.
Structure searching methods: general discussion.
Addicoat M, Adjiman CS, Arhangelskis M, Beran GJO, Brandenburg JG, Braun DE, Burger V, Burow A, Collins C, Cooper A, Day GM, Deringer VL, Dyer MS, Hare A, Jelfs KE, Keupp J, Konstantinopoulos S, Li Y, Ma Y, Marom N, McKay D, Mellot-Draznieks C, Mohamed S, Neumann M, Nilsson Lill S, Nyman J, Oganov AR, Price SL, Reutzel-Edens S, Ruggiero M, Sastre G, Schmid R, Schmidt J, Schön JC, Spackman P, Tsuzuki S, Woodley SM, Yang S, Zhu Q. Addicoat M, et al. Among authors: woodley sm. Faraday Discuss. 2018 Oct 26;211(0):133-180. doi: 10.1039/c8fd90030b. Faraday Discuss. 2018. PMID: 30307457 No abstract available.
Modelling nano-clusters and nucleation.
Catlow CR, Bromley ST, Hamad S, Mora-Fonz M, Sokol AA, Woodley SM. Catlow CR, et al. Among authors: woodley sm. Phys Chem Chem Phys. 2010 Jan 28;12(4):786-811. doi: 10.1039/b916069h. Epub 2009 Dec 15. Phys Chem Chem Phys. 2010. PMID: 20066364
Structure prediction of crystals, surfaces and nanoparticles.
Woodley SM, Day GM, Catlow R. Woodley SM, et al. Philos Trans A Math Phys Eng Sci. 2020 Dec 11;378(2186):20190600. doi: 10.1098/rsta.2019.0600. Epub 2020 Oct 26. Philos Trans A Math Phys Eng Sci. 2020. PMID: 33100162
High performance computing in the chemistry of materials.
Woodley SM, Catlow CR. Woodley SM, et al. Phys Chem Chem Phys. 2014 Oct 21;16(39):21001. doi: 10.1039/c4cp90126f. Epub 2014 Sep 10. Phys Chem Chem Phys. 2014. PMID: 25204378 No abstract available.
Supercomputing modelling of advanced materials: preface.
Catlow CRA, De Leeuw NH, Michaelides A, Woodley SM. Catlow CRA, et al. Among authors: woodley sm. Philos Trans A Math Phys Eng Sci. 2023 Jul 10;381(2250):20220252. doi: 10.1098/rsta.2022.0252. Epub 2023 May 22. Philos Trans A Math Phys Eng Sci. 2023. PMID: 37211036 Free PMC article. No abstract available.
Interlayer cation exchange stabilizes polar perovskite surfaces.
Deacon-Smith DE, Scanlon DO, Catlow CR, Sokol AA, Woodley SM. Deacon-Smith DE, et al. Among authors: woodley sm. Adv Mater. 2014 Nov 12;26(42):7252-6. doi: 10.1002/adma.201401858. Epub 2014 Sep 5. Adv Mater. 2014. PMID: 25196987 Free PMC article.
The Interplay of Interstitial and Substitutional Copper in Zinc Oxide.
Hou Q, Buckeridge J, Walsh A, Xie Z, Lu Y, Keal TW, Guan J, Woodley SM, Catlow CRA, Sokol AA. Hou Q, et al. Among authors: woodley sm. Front Chem. 2021 Dec 14;9:780935. doi: 10.3389/fchem.2021.780935. eCollection 2021. Front Chem. 2021. PMID: 34970531 Free PMC article.
30 results