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Trinity College Dublin

Publications 

TCHPC provides Irish academics with resources and expertise to enable their research in computational science and engineering. The Centre also manages or participated in managing large scale infrastructure and research programs. One of the main outputs from these services is the publications produced by the research groups and the accreditation we receive in these publications. The table below gives a list of the (>260) research publications enabled by TCHPC and our related research and infrastructure programs since 2005.

Title Authors year
Energy alignment induced negative differential resistance: The role of hybrid states in aromatic molecular devices. Wei Fan, R.Q. Zhang, A. Reily Rocha, and Stefano Sanvito. 2008
Visual sensory processing deficits in Schizophrenia and their relationship to disease state Yeap, S., Kelly, S. P., Sehatpour, P., Magno, E., Javitt, D. C., Garavan, H., Thakore, J. H., & Foxe, J. J. 2008
Conceptual molecular quantum phase transistor based on first-principles quantum transport calculations. Zekan Qian, Rui Li, Xingyu Zhao, Shimin Hou, and Stefano Sanvito. 2008
Exchange parameters from approximate self-interaction correction scheme A. Akande and S. Sanvito 2007
Search for magnetoresistance in excess of 1000\% in Ni point contacts: Density functional calculations A. R. Rocha, T. Archer, and S. Sanvito 2007
Efficient atomic self-interaction scheme for non-equilibrium transport C. Toher and S. Sanvito 2007
Foam as Granular Matter D. Weaire, V. Langlois, S. Hutzler, M. Saadatfar 2007
Flexible Estrogen Receptor Modulators: Synthesis, Biochemistry and Molecular Modeling Studies for 3-Benzyl-4,6-diarylhex-3-ene and 3,4,6-Triarylhex-3-ene Derivatives David G. Lloyd, Helena M. Smith, Andrew S. Knox, Daniela M. Zisterer and Mary J. Meegan, 2007
Urinary markers for prostate cancer. Downes MR, Byrne JC, Pennington SR, Dunn MJ, Fitzpatrick JM, Watson RW. 2007
The Hek outer membrane protein of Escherichia coli is an auto-aggregating adhesin and invasin. Fagan RP, Smith SG. 2007
A Physically Based Deformation Model for Interactive Cartoon Animation Garcia, M., Dingliana, J. and O'Sullivan, C. 2007
Charmonium at high temperature in two-flavor QCD Gert Aarts, Chris Allton, Mehmet Bugrahan Oktay, Mike Peardon, Jon-Ivar Skullerud, 2007
Radial and orbital excitations of static-light mesons Justin Foley, Alan O'Cais, Mike Peardon and Sinead Ryan 2007
A functional variant in MAL/TIRAP and protection against invasive pneumococcal disease, bacteraemia, malaria and tuberculosis Khor CC, [8 authors], Khan AR, [20 authors], O'Neill LA & Hill AVS 2007
Computational approach to the basicity of a series of alpha 1 adrenoceptor ligands in aqueous solution Kinsella G.K., Rodriguez F., Watson G.W. and Rozas I. 2007
Target specific virtual screening: optimization of an estrogen receptor screening platform Knox AJ, Meegan MJ, Sobolev V, Frost D, Zisterer DM, Williams DC, Lloyd DG 2007
Skinning Arbitrary Deformations Ladislav Kavan, Rachel McDonnell, Simon Dobbyn, Jiri Zara and Carol O'Sullivan 2007
Skinning with Dual Quaternions Ladislav Kavan, Steven Collins, Jiri Zara and Carol O'Sullivan 2007
A Fast and Compact Solver for the Shallow Water Equations Lee, R. and O'Sullivan, C. 2007
Accelerated Light Propagation Through Participating Media, Graphics Lee, R. and O'Sullivan, C. 2007
Atomstic modelling of mutilayered ceria nanotubes Martin P., Parker S.C., Sayle D.C. and Watson G.W. 2007
Benzothiepin derived molecular scaffolds for estrogen eceptor modulators: synthesis and antagonistic effects in breast cancer cells Mary J Meegan, Irene Barrett, Jochen Zimmermann, Andrew J.S.Knox, Daniela M Zisterer, and David G Lloyd; 2007
A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface. Morgan B.J. and Watson G.W. 2007
Studies on cell-cycle synchronization in the asexual, erythrocytic stages of Plasmodium falciparum. Naughton, J.A. & Bell, A. 2007
Flavour symmetry restoration and kaon weak matrix elements in quenched twisted mass QCD P. Dimopoulos, J. Heitger, F. Palombi, C. Pena, S. Sint and A. Vladikas 2007

Last updated 24 Oct 2014Contact TCHPC: info | support.