Materials Chemistry Research - University College London

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Dr Scott M Woodley

Room: 355

Internal telephone number: 30315

External telephone number: 02076790315

Email: Scott.Woodley

First Degree obtained from University of Bristol
Second Degree obtained from Univeristy of Bath

Number of publications pre-2012: 55
h-index: 15

Publications in 2012

1. Title: Introducing k-point parallelism into VASP
Author(s): Maniopoulou, A; Davidson, ERM; Grau-Crespo, R; Walsh, A; Bush, IJ; Catlow, CRA; Woodley, SM
Source: COMPUTER PHYSICS COMMUNICATIONS Volume: 18 Pages: 1696-1701 Published: 2012

2. Title: From ergodicity to extended phase diagrams
Author(s): Woodley, SM; Sokol, AA
Source: ANGEWANDTE CHEMIE INT. ED. Volume: 51 Issue: 16 Pages: 3752-3754 Published: 2012

Publications in 2011

1. Title: Appendix: First blind test of inorganic crystal structure prediction methods
In: Modern methods of crystal structure prediction, Oganov AR (ed.)
Author(s): Oganov, AR; Schon, JC; Jansen, M; Woodley, SM; Tipton, WW; Hennig, RG
Source: WILEY-VCH, Weinheim, Germany Pages: 223-231 Published: 2011

2. Title: Strontium migration assisted by oxygen vacancies in SrTiO₃ from classical and quantum mechanical simulations
Author(s): Walsh, A; Catlow, CRA; Smith, AGH, Sokol, AA; Woodley, SM
Source: PHYSICAL REVIEW B Volume: 83 Issue: 22 Article Number: 220301 Published: 2011

3. Title: High-performance computing in the chemistry and physics of materials
Author(s): Woodley, SM; Catlow, CRA
Source: PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES Volume: 467 Issue: 2131 Pages: 1880-1884 Published: JUL 8 2011

4. Title: Atomistic and electronic structure of (X₂O₃)_n nanoclusters; n=1-5, X = B, Al, Ga, In and Tl
Author(s): Woodley SM
Source: PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES Volume: 467 Issue: 2131 Pages: 2020-2042 Published: JUL 8 2011

5. Title: Potential energy landscapes for anion Frenkel-pair formation in ceria and india
Author(s): Walsh, A; Woodley, SM; Catlow, CRA; Sokol, AA
Conference Information: EMRS Symposium on Solid State Ionics - Exploring Chemical and Structural Complexity of Novel Ion Conductors, Date: JUN 07-10, 2010 Strasbourg FRANCE
Source: SOLID STATE IONICS Volume: 184 Issue: 1 Pages: 52-56 Published: 2011

Publications in 2010

1. Title: Electronic and Optical Properties of Doped and Undoped (TiO₂)_(n) Nanoparticles
Author(s): Shevlin, SA; Woodley, SM
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 114 Issue: 41 Pages: 17333-17343 Published: 2010

2. Title: Themed issue: Solid state and cluster structure prediction
Author(s): Woodley, SM; Catlow, R
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 30 Pages: 8436-8437 Published: 2010

3. Title: On the problem of cluster structure diversity and the value of data mining
Author(s): Sokol, AA; Catlow, CRA; Miskufova, M, Shevlin, SA; Al-Sunaidi, AA; Walsh, A; Woodley, SM
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 30 Pages: 8438-8445 Published: 2010

4. Title: Evolutionary structure prediction and electronic properties of indium oxide nanoclusters
Author(s): Walsh, A; Woodley, SM
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 30 Pages: 8446-8453 Published: 2010

5. Title: Exploration of multiple energy landscapes for zirconia nanoclusters
Author(s): Woodley, SM; Hamad, S; Catlow, CRA
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 30 Pages: 8454-8465 Published: 2010

6. Title: Advances in computational studies of energy materials
Author(s): Catlow, CRA; Guo, ZX; Miskufova, M; Shevlin, SA; Smith, AGH; Sokol, AA; Walsh, A; Wilson, DJ; Woodley, SM
Source: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES Volume: 368 Issue: 1923 Pages: 3379-3456 Published: 2010

7. Title: Lattice parameters and orthorhombic distortion of CaMnO₃
Author(s): Paszkowicz, W; Pietosa, J; Woodley, SM; Dluzewski, PA; Kozlowski, M; Martin, C
Source: POWDER DIFFRACTION Volume: 25 Issue: 1 Pages: 46-59 Published: 2010

8. Title: Modelling nano-clusters and nucleation
Author(s): Catlow, CRA; Bromley, ST; Hamad, S; Mora-Fonz, M; Sokol, AA; Woodley, SM
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 4 Pages: 786-811 Published: 2010

Publications in 2009

1. Title: Physical Properties, Intrinsic Defects, and Phase Stability of Indium Sesquioxide
Author(s): Walsh, A; Catlow, CRA; Sokol, AA; Woodley, SM
Source: CHEMISTRY OF MATERIALS Volume: 21 Issue: 20 Pages: 4962-4969 Published: 2009

2. Title: Experimental and computational studies of ZnS nanostructures
Author(s): Hamad, S; Woodley, SM; Catlow, CRA
Source: MOLECULAR SIMULATION Volume: 35 Issue: 12-13 Pages: 1015-1032 Published: 2009

3. Title: Structure Prediction of Ternary Oxide Sub-Nanoparticles
Author(s): Woodley, SM
Source: MATERIALS AND MANUFACTURING PROCESSES Volume: 24 Issue: 3 Pages: 255-264 Published: 2009

4. Title: A computational study of magnesium point defects and diffusion in forsterite
Author(s): Walker, AM; Woodley, SM; Slater, B; K. Wright, K
Source: PHYSICS OF THE EARTH AND PLANETARY INTERIORS Volume: 172 Issue: 1-2 Pages: 20-27 Published: 2009

5. Title: Structure prediction of titania phases: Implementation of Darwinian versus Lamarckian concepts in an Evolutionary Algorithm
Author(s): Woodley, SM; Catlow, CRA
Source: COMPUTATIONAL MATERIALS SCIENCE Volume: 45 Issue: 1 Pages: 84-95 Published: 2009

6. Title: Construction of nano- and microporous frameworks from octahedral bubble clusters
Author(s): Woodley, SM; Watkins, MB; Sokol, AA, Shevlin, SA; Catlow, CRA
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 11 Issue: 17 Pages: 3176-3185 Published: 2009

7. Title: Bubbles and microporous frameworks of silicon carbide
Author(s): Watkins, MB; Shevlin, SA; Sokol, AA, Slater, B; Catlow, CRA; Woodley, SM
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 11 Issue: 17 Pages: 3186-3200 Published: 2009

8. Title: Guest Editorial: Surfaces and Interfaces
Author(s): Bresme, F; Duffy, D; Woodley, S
Source: MOLECULAR SIMULATION Volume: 35 Issue: 7 Pages: 531-531 Published: 2009

Publications in 2008

1. Title: Structures of Zinc Oxide Nanoclusters: As Found by Evolutionary Algorithm Techniques
Author(s): Al-Sunaidi, AA; Sokol, AA; Catlow, CRA; Woodley, SM
Source: JOURNAL OF PHYSICAL CHEMISTRY C Volume: 112 Issue: 48 Pages: 18860-18875 Published: 2008

2. Title: Crystal structure prediction from first principles
Author(s): Woodley, SM; Catlow, R
Source: NATURE MATERIALS Volume: 7 Issue: 12 Pages: 937-946 Published: 2008

3. Title: Zinc oxide: A case study in contemporary computational solid state chemistry
Author(s): Catlow, CRA; French, SA; Sokol, AA; Alsunaidi, A; Woodley, SM
Source: JOURNAL OF COMPUTATIONAL CHEMISTRY Volume: 29 Issue: 13 Pages: 2234-2249 Published: 2008

4. Title: Structure, optical properties and defects in nitride (III-V) nanoscale cage clusters
Author(s): Shevlin, SA; Guo, ZX; van Dam, HJJ; Sherwood, P; Catlow, CRA; Sokol AA; Woodley, SM
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 10 Issue: 14 Pages: 1944-1959 Published: 2008

5. Title: The displacive phase transition of vanadium dioxide and the effect of doping with tungsten
Author(s): Netsianda, M; Ngoepe, PE; Richard, C; Woodley, SM
Source: CHEMISTRY OF MATERIALS Volume: 20 Issue: 5 Pages: 1764-1772 Published: 2008

6. Title: The mechanism of the displacive phase transition in vanadium dioxide
Author(s): Woodley, SM
Source: CHEMICAL PHYSICS LETTERS Volume: 453 Issue: 4-6 Pages: 167-172 Published: 2008

7. Title: Modelling of structures and reactivity of solid catalysts
In: Handbook of Heterogeneous Catalysis, 2nd Edition, G. Ertl, H. Knözinger, F. Schüth and J. Weitkamp (eds.)
Author(s): Catlow, R; Bell, RG; Slater B; Woodley, SM
Source: Wiley-VCH Volume: 453 Section: 5.5.1 Pages: 1637-1662 Published: 2008

8. Title: Computer modelling in solid state chemistry
In: Turning points in solid-state, materials and surface chemistry, K. D. M. Harris and P. P. Edwards (eds.)
Author(s): Catlow, R; Hamad, S; Di Tommaso, D; Sokol AA; Woodley SM
Source: RSC Publishing, Cambridge Pages: 180-207 Published: 2008

Materials Chemistry

@ The Kathleen Lonsdale Building

Dr Scott M Woodley