I have updated the brief CV and publications list in the Work page and added slides from a recent talk I gave at the “Modelling and Measuring Water in Complex Environments” symposium at the University of Southampton. The talk covered the implicit solvent model implemented in ONETEP and our recent work further extending and developing this model. It also included some examples of large-scale applications of the solvent model using ONETEP.
I have uploaded slides from a short talk I presented during the ONETEP masterclass 2017 at the University of Warwick on 01 September 2017. The talk described, in brief, the implementation of meta-GGA exchange-correlation functionals in ONETEP. Some practical information about the usage of meta-GGAs in ONETEP was also provided. The PDF can be downloaded from the Work page.
I have uploaded a poster and accompanying single slide from a “pico” talk describing my work on an ARCHER eCSE project implementing and extending an implicit solvent model in CASTEP and ONETEP. The poster and talk were presented at the CCP9 Young Researchers Meeting in Cambridge, UK. The PDFs can be downloaded from the Work page.
I have a new publication in The Journal of Chemical Physics:
J.C. Womack, N. Mardirossian, M. Head-Gordon, and C.-K. Skylaris, “Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package”, J. Chem. Phys. 145, 204114 (2016).
I have just uploaded the slides from two recent talks I gave on my work implementing meta-GGAs in the ONETEP linear-scaling electronic structure code. The first talk was given at the RSC Theoretical Chemistry Group Conference in Nottingham, UK. The second was given at the 252nd ACS National Meeting & Exposition in Philadelphia, US. The PDFs can be downloaded from the Work page.
I have made several additions and changes:
- Added my Ph. D. thesis to my list of publications. This can be viewed and downloaded here.
- Uploaded slides from a short talk I gave at the ONETEP Masterclass in September 2015, available on the Work page.
- Updated my brief CV, also available on the Work page.
- Updated the About section of the website to reflect my new position.