Support for the UKCP consortium
Lead Research Organisation:
University of Edinburgh
Department Name: Sch of 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
Zhu L
(2017)
Origin of the abnormal diffusion of transition metal atoms in rutile
in Physical Review B
Magdau I
(2017)
Simple thermodynamic model for the hydrogen phase diagram
in Physical Review B
Pruteanu CG
(2017)
When immiscible becomes miscible-Methane in water at high pressures.
in Science advances
Ackland GJ
(2017)
Quantum and isotope effects in lithium metal.
in Science (New York, N.Y.)
Magdau I
(2017)
Infrared Peak Splitting from Phonon Localization in Solid Hydrogen
in Physical Review Letters
Peng Y
(2017)
Elasticity of phase-Pi (Al3Si2O7(OH)3) - A hydrous aluminosilicate phase
in Physics of the Earth and Planetary Interiors
Loach CH
(2017)
Stacking Characteristics of Close Packed Materials.
in Physical review letters
Loach C
(2017)
Stacking Characteristics of Close Packed Materials
Martinez-Canales M
(2017)
No experimental Fermi surface measurements have been reported or made on low-temperature martensitic lithium.
in Proceedings of the National Academy of Sciences of the United States of America
Underwood T
(2017)
monteswitch : A package for evaluating solid-solid free energy differences via lattice-switch Monte Carlo
in Computer Physics Communications
Azadi S
(2017)
The role of van der Waals and exchange interactions in high-pressure solid hydrogen.
in Physical chemistry chemical physics : PCCP
Magdau I
(2017)
Charge density wave in hydrogen at high pressure
in Journal of Physics: Conference Series
Magdau I
(2017)
Theory of high pressure hydrogen, made simple
in Journal of Physics: Conference Series
Amos DM
(2017)
A Chiral Gas-Hydrate Structure Common to the Carbon Dioxide-Water and Hydrogen-Water Systems.
in The journal of physical chemistry letters
Naden Robinson V
(2017)
Stabilization of ammonia-rich hydrate inside icy planets.
in Proceedings of the National Academy of Sciences of the United States of America
Woolman G
(2018)
Structural and electronic properties of the alkali metal incommensurate phases
in Physical Review Materials
Binns J
(2018)
Formation of H 2 -rich iodine-hydrogen compounds at high pressure
in Physical Review B
Zong H
(2018)
Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning
in npj Computational Materials
Hobday CL
(2018)
Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling.
in Nature communications
Košata J
(2018)
Stability of Hydrogen Hydrates from Second-Order Møller-Plesset Perturbation Theory.
in The journal of physical chemistry letters
Zhao L
(2019)
Commensurate-incommensurate phase transition of dense potassium simulated by machine-learned interatomic potential
in Physical Review B
Naden Robinson V
(2019)
On the chain-melted phase of matter.
in Proceedings of the National Academy of Sciences of the United States of America
Geng H
(2019)
Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen
in Physical Review B
Zong H
(2019)
hcp ? ? phase transition mechanisms in shocked zirconium: A machine learning based atomic simulation study
in Acta Materialia
Chen Q
(2020)
Composition-Gradient-Mediated Semiconductor-Metal Transition in Ternary Transition-Metal-Dichalcogenide Bilayers.
in ACS applied materials & interfaces
Ackland G
(2020)
Structures of solid hydrogen at 300 K
in Physical Review B
Van De Bund S
(2020)
Quadrupole arrangements and the ground state of solid hydrogen
in Physical Review B
Ramsey S
(2020)
Localization effects on the vibron shifts in helium-hydrogen mixtures
in Physical Review B
Cooke P
(2020)
Raman signal from a hindered hydrogen rotor
in Physical Review B
Liu XD
(2020)
Counterintuitive effects of isotopic doping on the phase diagram of H2-HD-D2 molecular alloy.
in Proceedings of the National Academy of Sciences of the United States of America
Wiebe H
(2020)
Phase behavior of the quantum Lennard-Jones solid.
in The Journal of chemical physics
Zong H
(2020)
Understanding high pressure molecular hydrogen with a hierarchical machine-learned potential.
in Nature communications
Conway LJ
(2021)
Rules of formation of H-C-N-O compounds at high pressure and the fates of planetary ices.
in Proceedings of the National Academy of Sciences of the United States of America
Xu W
(2021)
Ionic Phases of Ammonia-Rich Hydrate at High Densities
in Physical Review Letters
Ackland G
(2021)
Two-state model for critical points and the negative slope of the melting curve
in Physical Review B
Van De Bund S
(2021)
Isotope Quantum Effects in the Metallization Transition in Liquid Hydrogen.
in Physical review letters
Keen H
(2021)
Ab initio study of pressure-induced structural and electronic phase transitions in Ca 2 RuO 4
in Physical Review B
Zong H
(2021)
Free electron to electride transition in dense liquid potassium
in Nature Physics
Binns J
(2021)
Superionicity, disorder, and bandgap closure in dense hydrogen chloride.
in Science advances
Li Q
(2021)
Nonexistence of the s - f volume-collapse transition in solid gadolinium at pressure
in Physical Review B
Wang Y
(2021)
Electronically Driven 1D Cooperative Diffusion in a Simple Cubic Crystal
in Physical Review X
Li X
(2021)
First principles study of dense and metallic nitric sulfur hydrides
in Communications Chemistry
Woolman G
(2022)
Detectability of core-level crossing and electronic topological transformations: The case of osmium
in Physical Review B
Pruteanu CG
(2022)
How to determine solubility in binary mixtures from neutron scattering data: The case of methane and water.
in The Journal of chemical physics
Massani B
(2022)
Ammonia Mono Hydrate IV: An Attempted Structure Solution
in Crystals
Marqués M
(2023)
H 2 Chemical Bond in a High-Pressure Crystalline Environment
in The Journal of Physical Chemistry C
Li H
(2023)
Enhancing the stability of the ? phase of zirconium alloys via local interlayer twists
in Physical Review B
| Description | The most stable arrangement for atoms in lithium is fcc, not some complicated structure as previously believed. Hydrogen Raman spectra can be characterised by quantum calculations and are not simply due to oscillations. Chain melting in Potassium is a phase transformation to a new state of matter Water can be subducted into the earth in a mineral called brucite Machine learning can be used to make interatomic potentials for systems with multiple phase transformations Dynamic compression of zirconium can form crystal structures which do not exist in static compression. Adding metallic ions to hydrogen breaks chemical bonds High pressure hydrogen has quantum effects (difference between H and D) at thousands of Kelvins associated with bond breaking |
| Exploitation Route | Experimental verification of the predictions has been done by collaborators in Utah using synchrotron radiation Superconducting hydride materials can be synthesized |
| Sectors | Aerospace Defence and Marine Energy Manufacturing including Industrial Biotechology |
| URL | https://www.research.ed.ac.uk/portal/en/persons/graeme-ackland(8ef4b611-a8a7-441a-8cab-b47d30cb8dcf).html |
| Description | New course materials developed for undergraduates at Edinburgh |
| First Year Of Impact | 2022 |
| Sector | Education |
| Impact Types | Policy & public services |
| Title | CCDC 1579394: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0h6f&sid=DataCite |
| Title | CCDC 1579395: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0h7g&sid=DataCite |
| Title | CCDC 1579396: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0h8h&sid=DataCite |
| Title | CCDC 1579397: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0h9j&sid=DataCite |
| Title | CCDC 1579398: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hbk&sid=DataCite |
| Title | CCDC 1579399: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hcl&sid=DataCite |
| Title | CCDC 1579400: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hdm&sid=DataCite |
| Title | CCDC 1579401: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hfn&sid=DataCite |
| Title | CCDC 1579402: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hgp&sid=DataCite |
| Title | CCDC 1579403: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hhq&sid=DataCite |
| Title | CCDC 1579404: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hjr&sid=DataCite |
| Title | CCDC 1579405: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hks&sid=DataCite |
| Title | CCDC 1579406: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hlt&sid=DataCite |
| Title | CCDC 1579407: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hmv&sid=DataCite |
| Title | CCDC 1579408: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hnw&sid=DataCite |
| Title | CCDC 1579409: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hpx&sid=DataCite |
| Title | CCDC 1579410: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hqy&sid=DataCite |
| Title | CCDC 1579411: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hrz&sid=DataCite |
| Title | CCDC 1579412: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hs0&sid=DataCite |
| Title | CCDC 1579413: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0ht1&sid=DataCite |
| Title | CCDC 1579414: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hv2&sid=DataCite |
| Title | CCDC 1579415: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hw3&sid=DataCite |
| Title | CCDC 1579416: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hx4&sid=DataCite |
| Title | CCDC 1579417: Experimental Crystal Structure Determination |
| Description | Related Article: Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach|2018|Nat.Commun.|9|1429|doi:10.1038/s41467-018-03878-6 |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc1q0hy5&sid=DataCite |