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theory and modelling in chemical sciences skip over navigation home who we are who we are academics and research interests student profiles hannah bruce macdonald jonathan mannouch tim naginey silvia amabilino staszek welsh victor do nascimento dasha shchepanovska academic associates administration and support 2014 cohort 2015 cohort 2016 cohort 2017 cohort programme programme annual symposium year 1 programme years 2-4 tmcs facilities public engagement annual symposium how to apply how to apply funding and eligibility admissions criteria open day 2017 partners contact news summer school uktc summer school intranet mulholland group: structure of a reaction intermediate in an enzyme (hen egg white lysozyme) from modelling with combined quantum mechanics/molecular mechanics (qm/mm) methods. wilson group: the ring structure of a bilayer of vitreous silica. khalid group: visualization of lipid flow on a 50nm diameter vesicle, using streamline methodology. colours represent the displacement of lipids. paton group: saddle points on the computed potential energy surface for an organic reaction, the pictet-spengler cyclisation, show six-membered ring formation to be kinetically favoured. clary group: quantum dynamics of the cl+chd 3 → hcl + cd 3 reaction. doye group: a dna tetrahedron assembled from four 3-arm motifs as modelled by oxdna. galpin/logan groups: conductance of a strongly correlated double quantum dot calculated by the numerical renormalization group. skylaris group: linear-scaling density functional theory using the onetep program, applied to catalysis on metallic nanoparticles. barford group: exciton wavefunctions in the light emitting polymer, poly(para-phenylene). glowacki group: new interactive interfaces for gpu-accelerated molecular dynamics. tweets by @tmcscdt theory and computer modelling play an increasingly central role in chemical and allied sciences, providing the means to understand, predict and design new molecules and materials. we are an epsrc centre for doctoral training whose aim is to transform phd training in theoretical and computational chemistry, and to deliver the research leaders of the future required by both academia and industry. our students receive integrated, in-depth training in the core activities of fundamental theory, software development, and application to contemporary research challenges. tmcs is formed as a consortium of leading research groups from the universities of oxford, bristol and southampton, so our students will benefit from expertise right across the subject, and from our strong links with prospective employers across a range of sectors. in addition to offering integrated doctoral training at the universities of oxford, bristol and southampton, up to four places on the year-one programme will be available to outstanding students with phd positions at other universities, at no cost to them or their host institution, every year​. tmcs is committed to promoting equal opportunities in science, and we particularly welcome applications from women. our 2017 tmcs cohort uktc 2018 summer school laszlo berencei and darren valentine-outreach july 09, 2018 darren and laszlo spent a week in chesterfield in the peak district, partaking in the oxhos (oxford hands-on science) 2018 road show. they visited various schools and held workshops to get children between 9-13 years of age more engaged with and interested in science through short science experiments/demonstrations across a wide range of topics.darren is the co-president of oxhos, so he deserves special recognition for putting a lot of effort into reaching out to schools and arranging this roadshow. -- callum bungey-student talk june 28, 2018 callum, from cohort 3 gave a talk at the european theoretical spectroscopy facility young researcher's meeting on 18th june 2018 in hamburg at the centre for free electron laser science (cefl). the title of his talk was: "non-born-oppenheimer electronic-vibrational structure". -- william glass- poster prize june 28, 2018 will glass from cohort 2 won a poster prize at the 3rd conference on multi scale modelling of condensed phase and biological systems in may 2018, congratulations will! -- lee steinberg- poster prize june 28, 2018 lee steinberg from cohort 2 received a poster prize at the mgms/uk qsar joint conference on structure activity relationships in cardiff in april 2018, the prize was sponsored by mdpi biomolecules journal; well done lee! -- site map | printable view | privacy policy | © 2013 - 2018 tmcs home site map search login

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http://www.tmcs.ac.uk/news.aspx
http://www.tmcs.ac.uk/home.aspx
http://www.tmcs.ac.uk/administration-and-support-.aspx
http://www.tmcs.ac.uk/william-glass--poster-prize.aspx
http://www.tmcs.ac.uk/open-day-2017.aspx
http://www.tmcs.ac.uk/who-we-are.aspx
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http://www.tmcs.ac.uk/#startcontent
http://www.tmcs.ac.uk/symposium.aspx
http://www.tmcs.ac.uk/programme.aspx
http://www.tmcs.ac.uk/victor-do-nascimento.aspx
http://www.tmcs.ac.uk/associates.aspx
http://www.tmcs.ac.uk/programme.aspx
http://www.tmcs.ac.uk/jonathan-mannouch.aspx
http://www.tmcs.ac.uk/lee-steinberg--poster-prize.aspx

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No such domain ac.uk


  REFERRER http://www.nominet.org.uk

  REGISTRAR Nominet UK

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