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Our team

Livia Bartók-Pártay

Livia Bartók-Pártay

Position - Fundamentals of Low Dimensional Materials theme leader

Associate Professor in the Department of Chemistry at the University of Warwick

George Booth

George Booth

Position - Novel Algorithms for Materials Modelling theme leader

Reader in Theoretical Physics in the Department of Physics at King's College London

John Buckeridge

John Buckeridge

Position - Novel Algorithms for Materials Modelling theme leader

Senior Lecturer in the School of Engineering at London South Bank University

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Our team

Livia Bartók-Pártay

Livia Bartók-Pártay

Position - Fundamentals of Low Dimensional Materials theme leader

Associate Professor in the Department of Chemistry at the University of Warwick

George Booth

George Booth

Position - Novel Algorithms for Materials Modelling theme leader

Reader in Theoretical Physics in the Department of Physics at King's College London

John Buckeridge

John Buckeridge

Position - Novel Algorithms for Materials Modelling theme leader

Senior Lecturer in the School of Engineering at London South Bank University

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The role of solution additives in magnesium ion dehydration: implications for the mineralization of CO2 to added-value carbonate materials

The role of solution additives in magnesium ion dehydration: implications for the mineralization of CO2 to added-value carbonate materials

Computational characterisation of the Mg–H2O dissociation mechanism shows that solution additives can stabilise undercoordinated Mg2+ ...

Magnetic, optical and thermodynamic properties of organic polymorphs from periodic DFT-D calculations

Magnetic, optical and thermodynamic properties of organic polymorphs from periodic DFT-D calculations

Pioneering computational methods to calculate diamagnetic susceptibility tensors of organic molecular crystals, have shown that ...

Modelling the future in heterogeneous catalysts

Modelling the future in heterogeneous catalysts

From all the manufactured goods generated and consumed in the UK, about 90% are directly or indirectly involved in a catalytic process ...