Support for the UKCP consortium
Lead Research Organisation:
UNIVERSITY COLLEGE LONDON
Department Name: Physics and Astronomy
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
Publications
Baker J
(2020)
The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO 3 perovskites
in Electronic Structure
Baker J
(2019)
First-principles soft-mode lattice dynamics of PbZr 0.5 Ti 0.5 O 3 and shortcomings of the virtual crystal approximation
in Physical Review B
Baker J
(2020)
Polar Morphologies from First Principles: PbTiO 3 Films on SrTiO 3 Substrates and the p(2×?) Surface Reconstruction
in Advanced Theory and Simulations
Baker JS
(2021)
Origin of Ferroelectric Domain Wall Alignment with Surface Trenches in Ultrathin Films.
in Physical review letters
Bowler D
(2019)
Highly accurate local basis sets for large-scale DFT calculations in conquest
in Japanese Journal of Applied Physics
Brázdová V
(2017)
Exact location of dopants below the Si(001):H surface from scanning tunneling microscopy and density functional theory
in Physical Review B
Hart M
(2017)
Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes.
in Angewandte Chemie (International ed. in English)
Hart M
(2017)
Encapsulation and Polymerization of White Phosphorus Inside Single-Wall Carbon Nanotubes
in Angewandte Chemie
Kirkham C
(2017)
Subatomic electronic feature from dynamic motion of Si dimer defects in Bi nanolines on Si(001)
in Physical Review B
Kumarasinghe C
(2020)
DFT study of undoped and As-doped Si nanowires approaching the bulk limit.
in Journal of physics. Condensed matter : an Institute of Physics journal
| Description | The key findings of this work is recorded against grant ref EP/P022561/1 |
| Exploitation Route | See grant ref EP/P022561/1 |
| Sectors | Energy Environment Manufacturing including Industrial Biotechology |
| Description | The impact of this work is recorded against grant ref EP/P022561/1 |
| First Year Of Impact | 2021 |
| Sector | Energy,Environment,Manufacturing, including Industrial Biotechology |
| Impact Types | Economic |