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Vriza, Aikaterini 
ORCID: 0000-0002-5663-8703
(2022)
Accelerating Molecular Materials Discovery Following Data-Driven Approaches.
PhD thesis, University of Liverpool.
Adamson, Duncan
(2021)
Algorithmic and Combinatorial Problems in Crystal Structure Prediction.
PhD thesis, University of Liverpool.
Dickson, Robert ORCID: 0000-0003-3007-808X
(2023)
Computational Investigation
of Black Pigment Materials.
PhD thesis, University of Liverpool.
Morris, Rhun
(2022)
Computational Study of Solid-State Superionic Conductor using DFT & Bond Valence Approaches.
PhD thesis, University of Liverpool.
Vasylenko, Andrij ORCID: 0000-0002-6933-0628, Antypov, Dmytro ORCID: 0000-0003-1893-7785, Gusev, Vladimir, Gaultois, Michael ORCID: 0000-0003-2172-2507, Dyer, Matthew ORCID: 0000-0002-4923-3003 and Rosseinsky, Matthew ORCID: 0000-0002-1910-2483
(2022)
Element selection for functional materials discovery by integrated machine learning of atomic contributions to properties.
[Preprint]
Sihag, Amita
(2022)
First Principles Investigations of Hydrogen
Adsorption on Carbon-Supported Metal
Catalysts.
PhD thesis, University of Liverpool.
Gilford, Oliver
(2023)
Investigating the Adsorption of Organic Isomers in Flexible Metal-Organic Frameworks with Theoretical Methods.
PhD thesis, University of Liverpool.
Hargreaves, Cameron
(2022)
Metrics for Materials Discovery.
PhD thesis, University of Liverpool.
Alemanno, Marta
(2023)
Probing Motion at Surfaces: from Walker Molecules to Responsive Antimicrobial Polymers.
PhD thesis, University of Liverpool.
Durant, Emile
(2021)
Three Studies of Organic Molecules Adsorbed on Copper Surfaces.
Doctor of Philosophy thesis, University of Liverpool.
Pitcher, Michael ORCID: 0000-0003-2044-6774, Mandal, Pranab, Dyer, Matthew ORCID: 0000-0002-4923-3003, Alaria, Jonathan ORCID: 0000-0001-5868-0318, Borisov, Pavel, Niu, Hongjun, Claridge, John ORCID: 0000-0003-4849-6714 and Rosseinsky, Matthew ORCID: 0000-0002-1910-2483
(2015)
Tilt engineering of spontaneous polarization and magnetization above 300 K in a bulk layered perovskite.
Science, 347 (6220).
pp. 420-424.