Support for the UKCP consortium
Lead Research Organisation:
University of Liverpool
Department Name: Chemistry
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
Poli E
(2019)
The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study.
in Frontiers in chemistry
Prentice JCA
(2020)
The ONETEP linear-scaling density functional theory program.
in The Journal of chemical physics
Rogers M
(2021)
Observation of a molecular muonium polaron and its application to probing magnetic and electronic states
in Physical Review B
Wu T
(2020)
Quantitative Resolution of Complex Stoichiometric Changes during Electrochemical Cycling by Density Functional Theory-Assisted Electrochemical Quartz Crystal Microbalance
in ACS Applied Energy Materials
Description | Theoretical and simulation support towards extended understanding of the following key-findings: 1.- Use of carbon-based molecules as a potential replacement for rare earths in permanent magnets -so far at low temperatures. 2.- Use of fullerenes to enhance the spin orbit coupling of heavy metals for spin-voltage conversion. 3.- (Predicted) emergence of non-stoichiometry resilient ferromagnetic half-metallicity in strained lithiated metal-oxide thin films |
Exploitation Route | Future strategies for rare-earth free permanent magnetism and spintronics devices (low-loss computing). |
Sectors | Digital/Communication/Information Technologies (including Software),Electronics,Energy |
URL | https://magneticsmag.com/breakthrough-magnet-produced-from-thin-film-of-cobalt-and-carbon/ |
Description | Report of results on Magnetics Magazine for their potential to change green energy generation (also reported in PhysOrg, EurekAlert! and Space Daily). |
First Year Of Impact | 2020 |
Sector | Electronics,Energy |
Description | 2nd Joint CCP9-MCC-UKCP-EPCC Workshop on Ab initio Periodic Codes: training in efficient use of periodic simulation codes on ARCHER, the UK National Supercomputer |
Geographic Reach | National |
Policy Influence Type | Influenced training of practitioners or researchers |
Impact | This training workshop was aimed at existing users of periodic codes on high performance compute (HPC) services who wish to: • Learn to tailor the choice of code to the project, to increase efficient exploitation of HPC • Explore the capabilities of other codes • Get more closely connected with the code experts and developers, as well as HPC experts At this workshop, participants had the chance to perform calculations with a variety of ab initio periodic codes on ARCHER, the UK National Supercomputing Service under the supervision of different periodic codes representatives. Codes represented at the workshop were: ABINIT, BIGDFT, CASTEP, CP2K, CRYSTAL, FHIaims and ONETEP. Thanks to the hands-on focus of the workshop, you will be able to familiarise yourself with codes by means of tutorials, and begin to apply codes you are not familiar with to your own projects. Tutors will give general presentations on the codes, and offer guidance in the hands-on sessions and one-to-one discussions. |
URL | http://www.cvent.com/events/2nd-joint-ccp9-mcc-ukcp-epcc-workshop-on-ab-initio-periodic-codes/event-... |
Description | EPSRC-SFI: Emergent Magnetism and Spin Interactions in Metallo-Molecular Interfaces |
Amount | £487,233 (GBP) |
Funding ID | EP/S031081/1 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start | 10/2019 |
End | 04/2024 |
Description | Kerr-gated Raman for the Characterisation of the Solid Electrolyte Interphase layer on Battery |
Amount | £40,000 (GBP) |
Funding ID | Kerr-gated Raman for the Characterisation of the Solid Electrolyte Interphase layer on Battery |
Organisation | Science and Technologies Facilities Council (STFC) |
Sector | Public |
Country | United Kingdom |
Start | 11/2017 |
End | 02/2018 |
Description | Newton Advanced Fellowship |
Amount | £104,550 (GBP) |
Funding ID | NAF\R1\180242 |
Organisation | The Royal Society |
Sector | Charity/Non Profit |
Country | United Kingdom |
Start | 03/2018 |
End | 02/2021 |
Description | REDEEM-electrocat: Rethinking Electrode Design - Emergent Electronic and Magnetic effects in electrocatalysis |
Amount | £8,352 (GBP) |
Funding ID | EP/V048279/1 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start | 02/2021 |
End | 01/2023 |
Description | Scaling up and coupling adaptive kinetic Monte Carlo with large-scale DFT |
Amount | £105,131 (GBP) |
Funding ID | ARCHER2-eCSE05-4 |
Organisation | ARCHER |
Sector | Charity/Non Profit |
Country | United Kingdom |
Start | 04/2022 |
End | 03/2023 |
Description | Support for the UKCP consortium |
Amount | £763,330 (GBP) |
Funding ID | EP/P022189/1 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start | 04/2017 |
End | 03/2021 |
Description | ALBA synchrotron newsletter |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Professional Practitioners |
Results and Impact | https://www.albasynchrotron.es/en/media/news/researchers-discover-a-new-mechanism-enabling-ultrafast-memory-architectures |
Year(s) Of Engagement Activity | 2022 |
URL | https://www.albasynchrotron.es/en/media/news/researchers-discover-a-new-mechanism-enabling-ultrafast... |
Description | Bioengineer.org |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://bioengineer.org/a-key-development-in-the-drive-for-energy-efficient-electronics/ |
Description | Business Standard |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2018 |
URL | https://www.business-standard.com/article/pti-stories/new-laser-technique-to-help-develop-efficient-... |
Description | China Daily |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Undergraduate students |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2018 |
URL | http://europe.chinadaily.com.cn/a/201811/01/WS5bd9eb1ea310eff303285c48.html |
Description | ELETIMES |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://www.eletimes.com/new-progress-in-generation-of-electronics-with-less-power-requirement |
Description | EurekAlert! |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://www.eurekalert.org/pub_releases/2020-03/uol-akd032320.php |
Description | EurekAlert! |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://www.eurekalert.org/pub_releases/2020-03/uol-hfa030320.php |
Description | EurekaAlert |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2018 |
URL | https://www.eurekalert.org/pub_releases/2018-10/uol-ltm103018.php |
Description | EurekaAlert |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance on industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://www.eurekalert.org/pub_releases/2020-03/uol-hfa030320.php |
Description | Market Business News |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2018 |
URL | https://marketbusinessnews.com/clean-fuels-laser-technique/189552/ |
Description | NANOWERK |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://www.nanowerk.com/nanotechnology-news2/newsid=54821.php |
Description | Nature-Chemistry |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2018 |
URL | https://chemistrycommunity.nature.com/users/180065-gaia-neri/posts/40287-shining-a-light-on-electroc... |
Description | New Electronics |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://www.newelectronics.co.uk/electronics-news/scientists-report-breakthrough-with-a-new-generati... |
Description | PHYSORG |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance on industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://phys.org/news/2020-03-permanent-magnet-cheap-sustainable.html |
Description | PHYSORG |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2018 |
URL | https://phys.org/news/2018-10-laser-technique-door-efficient-fuels.html |
Description | Phys.org |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://phys.org/news/2020-03-key-energy-efficient-electronics.html |
Description | Phys.org |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://phys.org/news/2020-03-permanent-magnet-cheap-sustainable.html |
Description | RD world |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2018 |
URL | https://www.rdworldonline.com/laser-technique-may-open-door-to-more-efficient-clean-fuels-2/ |
Description | SPACEDAILY |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance on industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://www.spacedaily.com/reports/Hope_for_a_new_permanent_magnet_thats_cheap_and_sustainable_999.h... |
Description | SPACEDAILY |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2020 |
URL | https://www.spacedaily.com/reports/Hope_for_a_new_permanent_magnet_thats_cheap_and_sustainable_999.h... |
Description | Science Daily |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2018 |
URL | https://www.sciencedaily.com/releases/2018/10/181030150711.htm |
Description | TechTimes |
Form Of Engagement Activity | A magazine, newsletter or online publication |
Part Of Official Scheme? | No |
Geographic Reach | International |
Primary Audience | Public/other audiences |
Results and Impact | General-audience outreach activity: lay terms description of part of the group research work and its importance for industry and society |
Year(s) Of Engagement Activity | 2018 |
URL | https://www.techtimes.com/articles/235280/20181030/study-laser-technique-may-open-door-to-more-effic... |