New Emergent Quantum States of Matter at High Pressure
Lead Research Organisation:
King's College London
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
Publications
Wei Y
(2022)
Exploring the Effect of the Number of Hydrogen Atoms on the Properties of Lanthanide Hydrides by DMFT
in Applied Sciences
Wei Y
(2022)
High-Temperature Superconductivity in the Lanthanide Hydrides at Extreme Pressures
in Applied Sciences
Weber C
(2020)
Role of the lattice in the light-induced insulator-to-metal transition in vanadium dioxide
in Physical Review Research
Weber C
(2021)
Unifying guiding principles for designing optimized superconductors.
in Proceedings of the National Academy of Sciences of the United States of America
Sheridan E
(2021)
Data-driven dynamical mean-field theory: An error-correction approach to solve the quantum many-body problem using machine learning
in Physical Review B
Plekhanov E
(2019)
Tuning topological surface states by cleavage angle in topological crystalline insulators
in Physical Review B
Plekhanov E
(2022)
Computational materials discovery for lanthanide hydrides at high pressure for high temperature superconductivity
in Physical Review Research
Description | We have now developed the method outined in the proposal to calculate forces within DFT+DMFT, and are able to relax structures under high pressure where correlations effects are large. |
Exploitation Route | The formalism has been implemented in the UK CASTEP software. We will apply for further funding to finalize the integration such that the UK community can exploit this new advance (quite unique in the world and provides an edge to the UK). |
Sectors | Electronics,Energy |
Title | Example input and output files for transferrin calculations |
Description | Example input and output files for transferrin calculations |
Type Of Material | Database/Collection of data |
Year Produced | 2022 |
Provided To Others? | Yes |
URL | https://figshare.com/articles/dataset/Example_input_and_output_files_for_transferrin_calculations/19... |
Title | Input files and results |
Description | This is the dataset of the manuscript: "Many body study of iron(III) bound human serum transferrin" |
Type Of Material | Database/Collection of data |
Year Produced | 2022 |
Provided To Others? | Yes |
URL | https://figshare.com/articles/dataset/Input_files_and_results/19161926 |
Description | CdSe_Zhang2017.py is a python file that reproduces the results obtained by Zhang et al in:https://doi.org/10.1007/s12274-017-1814-xray_trace.py is a simple example of a ray tracing calculation using the pvtrace module availble at:https://github.com/danieljfarrell/pvtrace |
Type Of Technology | Software |
Year Produced | 2021 |
Open Source License? | Yes |
URL | https://figshare.com/articles/software/Tar_file_of_code_and_examples/16720306 |