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All papers authored by James C. Womack

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2020 Joseph C. A. Prentice

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, Jolyon Aarons

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, James C. Womack

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, Alice E. A. Allen, Lampros Andrinopoulos, Lucian Anton, Robert A. Bell, Arihant Bhandari, Gabriel A. Bramley, Robert J. Charlton

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, Rebecca J. Clements

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, Daniel J. Cole, Gabriel Constantinescu, Fabiano Corsetti, Simon M.-M. Dubois

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and 21 other authors

The ONETEP linear-scaling density functional theory program

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Jacek Dziedzic, Arihant Bhandari, Lucian Anton, Chao Peng, James Womack

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, Marjan Famili, Denis Kramer, Chris-Kriton Skylaris

A Practical Approach to Large Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling DFT

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2018 James C. Womack

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, Lucian Anton, Jacek Dziedzic, Phil J. Hasnip, Matt I. J. Probert, Chris-Kriton Skylaris

DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution

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2017 James C. Womack

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, Lucian Anton, Jacek Dziedzic, Phil J. Hasnip, Matt I. J. Probert, Chris-Kriton Skylaris

Implementation and optimisation of advanced solvent modelling functionality in CASTEP and ONETEP

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2016 Narbe Mardirossian

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, Luis Ruiz Pestana

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, James C. Womack

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, Chris-Kriton Skylaris, Teresa Head-Gordon, Martin Head-Gordon

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Use of the rVV10 nonlocal correlation functional in the B97M-V density functional: defining B97M-rV and related functionals

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James C. Womack

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, Narbe Mardirossian, Martin Head-Gordon, Chris-Kriton Skylaris

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package

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2015 James C. Womack

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Evaluating Many-Electron Molecular Integrals for Quantum Chemistry

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2014 James C. Womack

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, Frederick R. Manby

Density fitting for three-electron integrals in explicitly correlated electronic structure theory

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