Support for the UKCP consortium
Lead Research Organisation:
Durham University
Department Name: Physics
Abstract
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
Organisations
People |
ORCID iD |
Stewart Clark (Principal Investigator) |
Publications
Zhang Z
(2020)
Hybrid band offset calculation for heterojunction interfaces between disparate semiconductors
in Applied Physics Letters
Warren M
(2018)
Phase transitions in silicate perovskites from first principles
in Mineralogical Magazine
Thomas I
(2017)
Exchange constants in molecule-based magnets derived from density functional methods
in Physical Review B
Tarekegne AT
(2019)
Terahertz time-domain spectroscopy of zone-folded acoustic phonons in 4H and 6H silicon carbide.
in Optics express
Schoonmaker R
(2018)
Quantum mechanical tunneling in the automerization of cyclobutadiene.
in The Journal of chemical physics
Pozina G
(2019)
Enhancement of light emission in Bragg monolayer-thick quantum well structures.
in Scientific reports
Plekhanov E
(2018)
Many-body renormalization of forces in f -electron materials
in Physical Review B
Manson JL
(2018)
Implications of bond disorder in a S=1 kagome lattice.
in Scientific reports
Lu H
(2020)
Modelling the enthalpy change and transition temperature dependence of the metal-insulator transition in pure and doped vanadium dioxide
in Physical Chemistry Chemical Physics
Description | New electronic structure methods and results applied to a wide range of materials such as semiconductors, organics, magnetic materials, Earth & planetary minerals and light emitting materials. Knowledge of the electronic electronic structure of materials is important to understand why they function the way they do and also to design and predict the properties of new functional materials. |
Exploitation Route | Software |
Sectors | Aerospace, Defence and Marine,Chemicals,Digital/Communication/Information Technologies (including Software),Electronics,Energy,Pharmaceuticals and Medical Biotechnology |
Description | The main impact of this work is two-fold: gaining fundamental insight into the nature of technological materials using the UK's national supercomputer (Archer) and secondly the development of computer codes that enable us to perform this type of research. In particular I am an author and developer of the Castep code (see www.castep.org) which is used in this research; it uses quantum mechanics to describe the electronic properties of materials which in turn allows us to predict and understand the nature of materials. This is a general approach and Castep has been packaged up to both aid other researchers around the world and also licensed to be used in industry. |
First Year Of Impact | 2001 |
Sector | Aerospace, Defence and Marine,Chemicals,Digital/Communication/Information Technologies (including Software),Electronics,Energy,Pharmaceuticals and Medical Biotechnology |
Impact Types | Economic |
Description | MMM Hub+ Conference |
Form Of Engagement Activity | Participation in an activity, workshop or similar |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Professional Practitioners |
Results and Impact | Science conference, which is a primary training goal of the network grant. |
Year(s) Of Engagement Activity | 2021 |
URL | http://mmmhub.ac.uk/mmm-hub-conference-2021/ |