Peter Cherry studied physics as an undergraduate at the University of Warwick. His thesis focused on computational modelling of quantum shot noise in ultracold systems. Following physics he switched to studying philosophy, and obtained a masters in philosophy from King’s College London, with a focus on mathematical logic and linguistics. Philosophical study motivated a return to practically applicable science, and he obtained a masters degree in computational chemistry from the University of Southampton. His thesis focused on computational studies of the chemisorption of oxygen on platinum nanoparticles. He is currently working in the group of Dr. Vladimir Malkin at the Slovak Academy of Sciences, where he is focusing on development and application of the fully relativistic four component code ReSpect-mDKS.
|Home Country||Wales, UK
|Project Topic||Fully relativistic pNMR theory: development, interpretation and applications|
|Project Description||The main aim of the project is to develop and apply new theoretical and computational techniques in the first-principles quantum-chemical software ReSpect. Specific focus will be given to formulation and extension of the relativistic pNMR theory. Computational implementation of new approaches into the ReSpect code, as well as improvement of the existing methodology for fully relativistic calculations of pNMR shifts is expected.
Particular attention will be paid to improvement of the efficiency of the current ReSpect code, as this will enable a wider range of systems to be studied.
Following successful theoretical development and implementation of these techniques, they will be applied to a variety of experimental problems suggested by partners within the pNMR network.Special attention will be paid for rationalization of this development into a form suitable for experimental spectral analysis.
|Project Home||Institue of Inorganic Chemistry, Slovak Academy of Sciences (BRATISLAVA)|
|Supervisor|| Vladimir Malkin
|Starting Date||September 2013
|Meetings|| pNMR Workshop, September 2013, Chamonix, France
Title: Multidisciplinary Workshop #1, joint with Bruker pre-Alpine Conference Role: participant
pNMR Training School, February 2014, Mariapfarr, Austria
Title: Electronic and Nuclear Relaxation, and Electronic Structure Calculation Role: participant
pNMR Applied Training, June 2015, Berlin, Germany
Title: Introduction to practical pNMR shift calculations Role: participant
pNMR Complementary Skills Training, July 2015, Prague, CZ
Title: Personal Skills, conference presentation and Communication Role: participant
pNMR Workshop 3, Prague, CZ
Title: pNMR : from rags to riches, Challenges and potentials of NMR on paramagnetic molecules, Role: speaker
|Secondments||6/10-6/12/2014 and 6/01-6/02/2015 : Stockholm Univeristy; 5/09/2015-05/12/15 Univeristy of Oulu, Finland; 01/04/2016-30/06/2016 Giotto Biotech, Florence|