Publications and reports:

R.S. Ledwaba, J.C. Womack, C.K. Skylaris, and P.E. Ngoepe, “Intercalation voltages for spinel LixMn2O4 (0≤x≤2) cathode materials: Calibration of calculations with the ONETEP linearscaling DFT code”, Mater. Today Commun. 27, 102380 (2021).

J.C.A. Prentice, J. Aarons, J.C. Womack, et al. “The ONETEP linearscaling density functional theory program” J. Chem. Phys. 152, 174111 (2020).

J. Dziedzic, A. Bhandari, L. Anton, C. Peng, J.C. Womack, M. Famili, D. Kramer, C.K. Skylaris, “Practical Approach to LargeScale Electronic Structure Calculations in Electrolyte Solutions via ContinuumEmbedded LinearScaling Density Functional Theory”, J. Phys. Chem. C 124, 7860–7872 (2020).

R.J. Clements, J.C. Womack, & C.K. Skylaris, C.K. “Electron localisation descriptors in ONETEP: a tool for interpreting localisation and bonding in largescale DFT calculations”, Electron. Struct. (2020) doi:10.1088/25161075/ab8d19

J.C. Womack, L. Anton, J. Dziedzic, P.J. Hasnip, M.I.J. Probert, and C.K. Skylaris, “DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution”, J. Chem. Theory Comput. 14, 1412 (2018).
 J.C. Howard, J.C. Womack, J. Dziedzic, C.K. Skylaris, B.P. Pritchard, and T.D. Crawford, “Electronically Excited States in Solution via a Smooth Dielectric Model Combined with EquationofMotion Coupled Cluster Theory”, J. Chem. Theory Comput. 13, 5572 (2017).

J.C. Womack, L. Anton, J. Dziedzic, P.J. Hasnip, M.I.J. Probert, and C.K. Skylaris, “Implementation and Optimisation of Advanced Solvent Modelling Functionality in CASTEP and ONETEP” (ARCHER eCSE technical report, 2017).
 N. Mardirossian, L. Ruiz Pestana, J.C. Womack, C.K. Skylaris, T. HeadGordon, and M. HeadGordon, “Use of the rVV10 Nonlocal Correlation Functional in the B97MV Density Functional: Defining B97MrV and Related Functionals”, J. Phys. Chem. Lett. 8, 35 (2017).
 J.C. Womack, N. Mardirossian, M. HeadGordon, and C.K. Skylaris, “Selfconsistent implementation of metaGGA functionals for the ONETEP linearscaling electronic structure package”, J. Chem. Phys. 145, 204114 (2016).
 J. C. Womack, and F. R. Manby, “Density fitting for threeelectron integrals in explicitly correlated electronic structure theory.” J. Chem. Phys. 140, 044118 (2014).
See also, my Google Scholar and ResearchGate profiles, and my ORCID.
Ph. D. thesis:
 J. C. Womack, “Evaluating ManyElectron Molecular Integrals for Quantum
Chemistry”, Ph. D., University of Bristol, Bristol, 2015. http://doi.org/10.13140/RG.2.1.2485.3843.
My Ph. D. thesis can be viewed and downloaded at ResearchGate.
Talks and posters:
 Talk in Manby group meeting, University of Bristol, 05 Nov 2019
 Talk at ONETEP masterclass, 2019 (HartreeFock exchange and hybrid functionals)
 Talk at ONETEP masterclass, 2019 (Software design, development practices and capabilities)
 Talk at Faraday Institution PDRA workshop, 2018
 Talk at EuCheMS Chemistry Congress, 2018
 Talk at CCP9 Community Meeting, 2018
 Talk at DFT Code Developer Community Meeting, 2018
 Talk at University of Southampton “Modelling and Measuring Water in Complex Environments” symposium, 2018
 Talk at ONETEP masterclass, 2017
 Talk at WATOC Coding Solvation Workshop, 2017
 Single slide “pico” talk for CCP9 Young Researchers Meeting, 2017
 Poster for CCP9 Young Researchers Meeting, 2017
 Talk at University of York, 2016
 Talk at 252nd ACS National Meeting & Exposition, 2016
 Talk at RSC TCG Conference, 2016
 Short talk at ONETEP Masterclass, 2015
 Talk at the RSC TCG Graduate Student Meeting, 2015 (awarded the Coulson Prize)
 Poster for Computational Molecular Science, 2015
 Talk at University of Southampton, 2015
 Poster for RSC TCG Graduate Student Meeting, 2014
 Talk for South West Computational Chemists conference (SWCC), 2013
 Poster for 7th Molecular Quantum Mechanics, 2013 (awarded a poster prize)
 Talk at the SCI Day of Science event, 2013
 Poster for the UK national training school in theoretical chemistry, 2012
 Poster for Computational Molecular Science, 2012
 Talk at the SCI scholar Cambridge event, 2012
 Talk at the 131st Society of the Chemical Industry (SCI) AGM, 2012