James Womack

University of Bristol

United Kingdom

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Articles (5)

Year:

2021

Year:

2021

Year:

2020

Year:

2020

Year:

2020

Collaborators (4)

David D. O’Regan

Trinity College Dublin

IRELAND

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Jacek Dziedzic

University of Southampton

UNITED KINGDOM

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Nicholas Hine

Professor

University of Warwick

UNITED KINGDOM

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Joseph Prentice

Cooksey Early Career Teaching and Research Fellow

University of Oxford

UNITED KINGDOM

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James Womack

Research Interests

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Articles (5)

Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy

Intercalation voltages for spinel LixMn2O4 (0≤x≤2) cathode materials: Calibration of calculations with the ONETEP linear-scaling DFT code

Electron localisation descriptors in ONETEP: a tool for interpreting localisation and bonding in large-scale DFT calculations

The ONETEP linear-scaling density functional theory program

Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory

Collaborators (4)

David D. O’Regan

Jacek Dziedzic

Nicholas Hine

Joseph Prentice

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