I am a postgraduate student with the solid state NMR group at Warwick University.I graduated from the four year MMathPhys program in 2011

Research

My postgraduate research attempts to develop a protocol to compute the NMR parameters of partially disordered materials as an appropriately weighted average over disordered configurations. I am to study systems of varying disorder using the complementary techniques of Density Functional Theory and solid state NMR in the hope of identifying and exploiting recurring motifs to this end. [Supervisors : John Hanna and David Quigley]

Publications

N. Mercadal, S. P. Day, A. Jarmyn, M. B. Pitak, S. J. Coles, C. Wilson, G. J. Rees, J. V. Hanna and J. D. Wallis, ‘O- vs. N-protonation of 1-dimethylaminonaphthalene-8- ketones: formation of a peri N–C bond or a hydrogen bond to the pi-electron density of a carbonyl group’, CrystEngComm, 2014, 00, 1–12

DOI: 10.1039/C4CE00981A

G. J Rees, S. P. Day, A. Lari, A. P. Howes, D. Iuga, M. B. Pitak, S. J. Coles, T. L. Threlfall, M. E. Light, M. E. Smith, D. Quigley, J. D. Wallis, J. V. Hanna, ‘A Multi-Nuclear Solid State NMR, Density Functional Theory and X-Ray Diffraction Study of Hydrogen Bonding in Group I Hydrogen Dibenzoates’ ,CrystEngComm, 2013, 15, 43, 8823-8839

DOI: 10.1039/c3ce41258j

H. R. Thomas, S. P. Day, W. E. Woodruff, C. Valles, R. J. Young, I. A. Kinloch, G. W. Morley, J. V. Hanna, N. R. Wilson, J. P. Rourke, ‘Deoxygenation of Graphene Oxide: Reduction or Cleaning?’ Chemistry of Materials , 2013, 25, 18, 3580-3588

DOI: 10.1021/cm401922e

A. Lari, M. B. Pitak, S. J. Coles, G. J. Rees, S. P. Day, M. E. Smith, J. V. Hanna, J. D. Wallis, Models for incomplete nucleophilic stack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylaminonaphthalene-8-carbaldehyde’, Org. Biomol. Chem., 2012, 10, 7763

DOI: 10.1039/C2OB25929J

Conference Talks

Presentation at the iMR CDT research conference, University of Dundee, 12th Arpil 2014 - A Mutlinuclear MAS NMR Study of Sr2Sc2-xGaxO5 Perovskite Fuel Cell Materials

Presentation at the UK 850 MHz Solid-State NMR facility fourth annual symposia, University of Warwick, 3rd April 2014 – A Mutlinuclear MAS and Static NMR Study of Sr2Sc2-xGaxO5 Perovskite Fuel Cell Materials and Rare-Earth Containing GeS2-Ga2S3 Calcogenide Glasses for Bright Fibre Laser Devices.

Presentation at the Bruker Users’ Meeting, Solid State NMR Seminar at the Bruker Coventry Branch, 12th November 2013 - A Multinuclear Solid State NMR and Density Functional Theory Study of Hydrogen Bonding in Group I Hydrogen Dibenzoates.

Presentation at magnetic resonance seminar 11th June 2013 at St Andrew’s - Complimentary GIPAW DFT computational and solid state NMR approaches to studying disordered apatite materials

Presentation given at the RSC NMR Discussion Group Meeting, University of Bristol, June 2012 – Complimentary GIPAW DFT computational and solid state NMR approaches to studying hydrogen bonding and disordered apatite systems

Teaching

I have been a supervisor for 1st year undergraduate students completing the mathematics and physics course for the following modules: Analysis I & II, Linear Algebra and Differential Equations (October 2011- May 2012)

I have led weekly example classes on mathematics for physicists for 1st year physics undergraduate students (October 2012- May 2014)

I have helped run mathematics classes for 1st year physics students who fail to pass a set of exams on basic mathematics during their first term in order to remind them of theory they might have forgotten and to elucidate aspects of the theory that they haven't fully understood. (October 2011-December 2011, October 2012-December 2012, October 2013-December 2013)

I have demonstrated in the first year undergraduate Electronics Workshop. (April 2011- June 2013)

Useful Links

http://www2.warwick.ac.uk/fac/sci/physics/research/condensedmatt/nmr