List of works - Scott M Woodley

Band alignment of rutile and anatase TiO2

article

Bubbles and microporous frameworks of silicon carbide

scientific article published on 27 March 2009

Construction of nano- and microporous frameworks from octahedral bubble clusters.

scientific article

Crystal structure prediction from first principles.

scientific article

Demonstration of the donor characteristics of Si and O defects in GaN using hybrid QM/MM

Development of Interatomic Potentials for Supported Nanoparticles: The Cu/ZnO Case

Donor and acceptor characteristics of native point defects in GaN

Evolutionary structure prediction and electronic properties of indium oxide nanoclusters

scientific article published on 05 July 2010

Exploration of multiple energy landscapes for zirconia nanoclusters

scientific article published on 8 July 2010

From Ergodicity to Extended Phase Diagrams ⬇️

scientific article published on April 16, 2012

Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors

High performance computing in the chemistry of materials

scientific article published on 10 September 2014

Interlayer cation exchange stabilizes polar perovskite surfaces

scientific article

Materials and Molecular Modeling at the Exascale

scientific article published on 07 January 2022

Microscopic origin of the optical processes in blue sapphire

scientific article published in June 2013

Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description

scientific article

Modelling nano-clusters and nucleation.

scientific article published on 15 December 2009

Morphological Features and Band Bending at Nonpolar Surfaces of ZnO

On the problem of cluster structure diversity and the value of data mining

scientific article

One-dimensional embedded cluster approach to modeling CdS nanowires.

scientific article published in September 2013

Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination

Relationship of crystal structure to interionic interactions in the lithium-manganese spinel oxides

scientific article published on 01 July 2000

Structure and Properties of Nanosilicates with Olivine (Mg2SiO4) N and Pyroxene (MgSiO3) N Compositions

scientific article published on 19 July 2019

Structure prediction of crystals, surfaces and nanoparticles

scientific article published on 26 October 2020

Structure refinement of quaternary spinel oxides experiments and modelling

scientific article published on 01 July 2000

Structure, optical properties and defects in nitride (III-V) nanoscale cage clusters.

scientific article published on 27 February 2008

The prediction of inorganic crystal framework structures using excluded regions within a genetic algorithm approach.

scientific article published on 20 November 2003

Themed issue: Solid state and cluster structure prediction

scientific article published on 19 July 2010

Thermodynamically accessible titanium clusters TiN, N = 2-32.

scientific article published on 10 May 2018

What is the best or most relevant global minimum for nanoclusters? Predicting, comparing and recycling cluster structures with WASP@N

article

Zinc oxide: A case study in contemporary computational solid state chemistry

scientific article published on 01 October 2008

List of works by Scott M Woodley

Band alignment of rutile and anatase TiO2

Bubbles and microporous frameworks of silicon carbide

Construction of nano- and microporous frameworks from octahedral bubble clusters.

Crystal structure prediction from first principles.

Demonstration of the donor characteristics of Si and O defects in GaN using hybrid QM/MM

Development of Interatomic Potentials for Supported Nanoparticles: The Cu/ZnO Case

Donor and acceptor characteristics of native point defects in GaN

Evolutionary structure prediction and electronic properties of indium oxide nanoclusters

Exploration of multiple energy landscapes for zirconia nanoclusters

From Ergodicity to Extended Phase Diagrams ⬇️

Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors

High performance computing in the chemistry of materials

Interlayer cation exchange stabilizes polar perovskite surfaces

Materials and Molecular Modeling at the Exascale

Microscopic origin of the optical processes in blue sapphire

Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description

Modelling nano-clusters and nucleation.

Morphological Features and Band Bending at Nonpolar Surfaces of ZnO

On the problem of cluster structure diversity and the value of data mining

One-dimensional embedded cluster approach to modeling CdS nanowires.

Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination

Relationship of crystal structure to interionic interactions in the lithium-manganese spinel oxides

Structure and Properties of Nanosilicates with Olivine (Mg2SiO4) N and Pyroxene (MgSiO3) N Compositions

Structure prediction of crystals, surfaces and nanoparticles

Structure refinement of quaternary spinel oxides experiments and modelling

Structure, optical properties and defects in nitride (III-V) nanoscale cage clusters.

The prediction of inorganic crystal framework structures using excluded regions within a genetic algorithm approach.

Themed issue: Solid state and cluster structure prediction

Thermodynamically accessible titanium clusters TiN, N = 2-32.

What is the best or most relevant global minimum for nanoclusters? Predicting, comparing and recycling cluster structures with WASP@N

Zinc oxide: A case study in contemporary computational solid state chemistry