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Trinity College Dublin


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
The Recognition and Sensing of Anions through "Positive Allosteric Effects" Using Simple Urea-Amide Receptors C. M. G. dos Santos, T. McCabe, G. W. Watson, P. E. Kruger, T. Gunnlaugsson. 2008
Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions C. Toher and S. Sanvito 2008
Transient blood brain barrier breakage by RNA interference of Claudin-5 Campbell M., Kiang A.S., Kenna P., Kerskens C., Blau C., O’Dwyer L., Farrar J. and Humphries P. 2008
Impurity-Ion pair induced high-temperature ferromagnetism in Co-doped ZnO. Chaitanya Das Pemmaraju, R. Hanafin, T. Archer, B.H. Braun, and S. Sanvito. 2008
Polarizability of molecular chains: A self-interaction correction approach Chaitanya Das Pemmaraju, S. Sanvito, and K. Burke 2008
Electronic Structure and Lattice Vibrations of Ca2CuO2Cl2: a hybrid density functional study Charles H. Patterson 2008
Small polarons and magnetic anti-phase boundaries in Ca2-xNaxCuO2Cl2 (x=0.06, 0.12): origin of striped phases in cuprates Charles H. Patterson 2008
Linear assemblies of magnetic nanoparticles as MRI contrast agents. Corr S. A., Byrne S. J., Tekoriute R., Meledandri C. J., Brougham D. F., Lynch M., Kerskens C., O'Dwyer L. and Gun'ko Y. K. 2008
The pilot European Alzheimer's Disease Neuroimaging Initiative of the European Alzheimer's Disease Consortium. Frisoni G. B., Henneman W. J., Weiner M. W., Scheltens P., Vellas B., Reynish E., Hudecova J., Hampel H., Burger K., Blennow K., Waldemar G., Johannsen P., Wahlund L. O., Zito G., Rossini P. M., Winblad B. and Barkhof F. 2008
The difference of the transport properties of graphene with corrugation structure and with flat structure. G. Q. Li, J. Cai, J. K. Deng, A. R. Rocha, and S. Sanvito. 2008
Acute effects of cocaine on the neurobiology of cognitive control. Garavan H., Kaufman J. N. and Hester R. 2008
Individual Differences in the Neuroanatomy of Inhibitory Control. Garavan, H., Hester, R., Murphy, K., Fassbender, C., & Kelly, C. 2008
A comparative study of the electronic structures of SrCu2O2 and PbCu2O2 by density functional theory, high resolution X-ray photoemission and electron paramagnetic resonance spectroscopy / Godinho, K.G., Watson, G.W., Walsh, A., Green, A.J.H., Payne, D.J., Harmer, J., Egdell, R.G. 2008
Functionalized nanopore-embedded electrodes for rapid DNA sequencing. H.H. Ralph, H. Scheicher, R. Pandey, A.R. Rocha, S. Sanvito, A. Grigoriev, R. Ahuja, and S.P. Karna. 2008
Core candidate neurochemical and imaging biomarkers of Alzheimer's disease Hampel H., Burger K., Teipel S. J., Bokde A. L., Zetterberg H. and Blennow K. 2008
Neural mechanisms underlying drug-related cue distraction in active cocaine users Hester R. & Garavan H. 2008
Effcient ab initio method for inelastic transport in nanoscale devices: Analysis of inelastic electron tunneling spectroscopy. Hisao Nakamura, Koichi Yamashita, Alexandre. R. Rocha, and Stefano Sanvito. 2008
Algorithm for the construction of self-energies for electronic transport calculations based on singularity elimination and singular value decomposition. I. Rungger and S. Sanvito. 2008
I-V curves of Fe/MgO (001) single- and double-barrier tunnel junctions. J. Peralta-Ramos, A. M. Llois, I. Rungger, and S. Sanvito. 2008
Electronic properties of bulk and thin film SrRuO3 : a search for the metal-insulator transition. J.M. Rondinelli, N.M. Ca?rey, S. Sanvito, and N.A. Spaldin. 2008
Studies of the periodic faceting of epitaxial molybdenum oxide grown on Mo(110) K. Radican, N. Berdunov, and I. V. Shvets 2008
Polypostors: 2D Polygonal Impostors for 3D Crowds Kavan, L. Dobbyn, S., Collins, S., Zara, J., and O’Sullivan, C. 2008
Automaticity and re-establishment of executive control – an fMRI study Kübler, A., Dixon, V., & Garavan, H. 2008
Ordered cylindrical foam structures with internal bubbles M. Saadatfar, J. Barry, D. Weaire and S. Hutzler 2008
Newtonian origin of the spin motive force in ferromagnetic atomic wires M. Stamenova, T.N. Todorov, and S. Sanvito 2008

Last updated 19 Oct 2016Contact Research IT.