New Emergent Quantum States of Matter at High Pressure
Lead Research Organisation:
King's College London
Department Name: Physics
Abstract
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Organisations
Publications
Acharya S
(2021)
Electronic Structure Correspondence of Singlet-Triplet Scale Separation in Strained Sr2RuO4
in Applied Sciences
Acharya S
(2018)
Metal-Insulator Transition in Copper Oxides Induced by Apex Displacements
in Physical Review X
Banerjee D
(2022)
Pressure-induced electronic transitions in samarium monochalcogenides
in Physical Review B
Fertitta E
(2021)
Study of disorder in pulsed laser deposited double perovskite oxides by first-principle structure prediction
in npj Computational Materials
Finnegan S
(2022)
High-pressure structure of praseodymium revisited: In search of a uniform structural phase sequence for the lanthanide elements
in Physical Review B
Finnegan S
(2020)
High-pressure structural systematics in samarium up to 222 GPa
in Physical Review B
Finnegan S
(2021)
High-pressure structural systematics in neodymium up to 302 GPa
in Physical Review B
Jamet F
(2022)
Disentangling the role of bond lengths and orbital symmetries in controlling T c of optimally doped YBa 2 Cu 3 O 7
in Physical Review Research
Lee H
(2022)
Many-Body Study of Iron(III)-Bound Human Serum Transferrin
in The Journal of Physical Chemistry Letters
Lee H
(2021)
Ultrafast Electron Dynamics in Magnetic Thin Films
Lee H
(2021)
Ultrafast Electron Dynamics in Magnetic Thin Films
in Applied Sciences
Lee H
(2019)
The Mott to Kondo transition in diluted Kondo superlattices
in Communications Physics
Linscott EB
(2020)
ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory.
in Journal of chemical theory and computation
Lupo C
(2021)
Publisher Correction: Maximally localized dynamical quantum embedding for solving many-body correlated systems
in Nature Computational Science
Lupo C
(2019)
Nanoscopic time crystal obtained by nonergodic spin dynamics
in Physical Review B
Lupo C
(2021)
From Slater to Mott physics by epitaxially engineering electronic correlations in oxide interfaces
in npj Computational Materials
Lupo C
(2021)
Maximally localized dynamical quantum embedding for solving many-body correlated systems
in Nature Computational Science
Lupo C
(2019)
Emergence of long-range magnetic order stabilized by magnetic impurities in pnictides
in Physical Review B
McHardy J
(2023)
On the creation of thermal equations of state for use in Dioptas
in High Pressure Research
McMahon M
(2019)
Structure and magnetism of collapsed lanthanide elements
in Physical Review B
McMahon M
(2022)
New structural systematics in the lanthanide elements at high pressure
in Bulletin of Materials Science
Pace E
(2020)
Structural phase transitions in yttrium up to 183 GPa
in Physical Review B
Pace E
(2020)
Structural phase transitions in yttrium up to 183 GPa
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
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
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
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
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 |