Projects per year
Personal profile
Research interests
The focus of our research is in developing and applying novel computer simulation techniques to extend our understanding of the structure, stability and reactivity of ceramics and minerals at the atomic level. There are broadly three main areas where we apply these techniques, firstly the structure and stability of solid surfaces, secondly chemical reactions occurring at solid surfaces and finally, the modification of crystal structures.
Research interests:
- Computer Simulation of Surfaces
- Predictive Modelling of the Structure and Reactivity of Catalysts
- Computer Simulation of Ceramic and Mineral Crystal Structures
Fingerprint
Dive into the research topics where Steve Parker is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
- 6 Similar Profiles
Network
Recent external collaboration on country level. Dive into details by clicking on the dots or
Projects
-
Critical mass application on emergent nanomaterials
Engineering and Physical Sciences Research Council
1/08/18 → 31/07/22
Project: Research council
-
Multiscale Tuning of Interfaces and Surfaces for Energy Applications
Engineering and Physical Sciences Research Council
1/01/17 → 30/06/21
Project: Research council
-
Improving the performance of large-scale simulations in DL_MONTE
Parker, S., Düren, T. & Underwood, T.
Engineering and Physical Sciences Research Council
1/07/21 → 30/06/22
Project: Research council
-
Prog Runliang Zhu (Fellow) - Understanding the Co-sorption of Heavy Metal Cations and Oxsyanions at (oxhydro)oxide-water Interfaces
1/10/15 → 30/09/19
Project: Research council
-
DL-MONTE Monte Carlo Simulation of Condensed Phases
Engineering and Physical Sciences Research Council
31/03/15 → 30/03/18
Project: Research council
Research output
-
Adsorption of phosphate and cadmium on iron (oxyhydr)oxides: A comparative study on ferrihydrite, goethite, and hematite
Liu, J., Zhu, R., Ma, L., Fu, H., Lin, X., Parker, S. C. & Molinari, M., 1 Feb 2021, In: Geoderma. 383, 114799.Research output: Contribution to journal › Article › peer-review
-
Elucidating the nature of grain boundary resistance in lithium lanthanum titanate
Symington, A. R., Molinari, M., Dawson, J. A., Statham, J. M., Purton, J., Canepa, P. & Parker, S. C., 14 Mar 2021, In: Journal of Materials Chemistry A. 9, 10, p. 6487-6498 12 p.Research output: Contribution to journal › Article › peer-review
Open Access -
Accuracy of Hybrid Functionals with Non-Self-Consistent Kohn-Sham Orbitals for Predicting the Properties of Semiconductors
Skelton, J. M., Skelton, J. M., Gunn, D. S. D., Metz, S. & Parker, S. C., 9 Jun 2020, In: Journal of Chemical Theory and Computation. 16, 6, p. 3543-3557 15 p.Research output: Contribution to journal › Article › peer-review
4 Citations (Scopus) -
Bacteriophage M13 Aggregation on a Microhole Poly(ethylene-terephthalate) Substrate Produces an Anionic Current Rectifier: Sensitivity toward Anionic versus Cationic Guests
Putra, B. R. P., Szot-Karpińska, K., Kudła, P., Yin, H., Boswell, J., Squires, A., da Silva, M., Edler, K., Fletcher, P., Parker, S. & Marken, F., 21 Jan 2020, In: ACS Applied Bio Materials. 3, 1, p. 512-521Research output: Contribution to journal › Article › peer-review
Open AccessFile2 Citations (Scopus)7 Downloads (Pure) -
Electronic and Phonon Instabilities in Bilayer Graphene under Applied External Bias
Silva, E. L., Santos, M. C., Skelton, J. M., Yang, T., Santos, T., Parker, S. C. & Walsh, A., 2020, In: Materials Today: Proceedings. 20, 3, p. 373-382 10 p.Research output: Contribution to journal › Conference article › peer-review
Datasets
-
Nanostructuring perovskite oxides: The impact of SrTiO3 nanocubes 3D self-assembly on thermal conductivity
Parker, S. (Creator), Molinari, M. (Creator) & Yeandel, S. (Creator), University of Bath, 2016
DOI: 10.15125/BATH-00321
Dataset
-
Data set for Carbonation of Hydrous Materials at the Molecular Level: a ToF-SIMS, Raman and DFT Study
Grant, J. (Creator), Pesce, G. (Creator), Parker, S. (Creator), Molinari, M. (Creator) & Ball, R. (Creator), University of Bath, 2 Feb 2017
DOI: 10.15125/BATH-00240
Dataset
-
Dataset for Tungsten Bronze Barium Neodymium Titanate (Ba6-3nNd8+2nTi18O54): an Intrinsic Nanostructured Material and its Defect Distribution
Molinari, M. (Creator), Baran, J. (Creator) & Parker, S. (Creator), University of Bath, 2016
DOI: 10.15125/BATH-00174
Dataset
-
Data for "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor"
Bryant, M. (Data Collector), Skelton, J. (Creator), Hatcher, L. (Project Member), Stubbs, C. (Project Member), Madrid, E. (Project Member), R. Pallipurath, A. (Project Member), Thomas, L. (Project Member), Woodall, C. (Project Member), Christensen, J. (Project Member), Fuertes, S. (Project Member), Robinson, T. (Project Member), Beavers, C. (Project Member), Teat, S. J. (Project Member), Warren, M. (Project Member), Pradaux-Caggiano, F. (Project Member), Walsh, A. (Project Member), Marken, F. (Project Member), Carbery, D. (Project Member), Parker, S. (Project Member), Mckeown, N. B. (Project Member), Malpass-evans, R. (Project Member), Carta, M. (Project Member) & Raithby, P. (Project Leader), University of Bath, 27 Nov 2017
DOI: 10.15125/BATH-00440
Dataset
-
Data for "Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions"
Skelton, J. (Creator), Burton, L. (Researcher), Parker, S. (Supervisor), Walsh, A. (Project Leader), Kim, C. (Researcher), Soon, A. (Supervisor), Buckeridge, J. (Researcher), Sokol, A. A. (Researcher), Catlow, C. R. A. (Supervisor), Togo, A. (Researcher) & Tanaka, I. (Supervisor), University of Bath, 10 Aug 2016
DOI: 10.15125/BATH-00258, http://dx.doi.org/10.1103/PhysRevLett.117.075502
Dataset