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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
A strain-driven morphotropic phase boundary in BiFeO_3 R. J. Zeches, M. D. Rossell, J. X. Zhang, A. J. Hatt, Q. He, C.-H. Yang, A. Kumar, C. H. Wang, A. Melville, C. Adamo, G. Sheng, Y.-H. Chu, J. F. Ihlefeld, R. Erni, C. Ederer, V. Gopalan, L. Q. Chen, D. G. Schlom, N. A. Spaldin, L. W. Martin, and R. Ramesh 2009
Correlation effects in p-electron magnets: Electronic structure of RbO_2 from first principles R. Kovácik and C. Ederer 2009
Learning and memory deficits in ecstasy users and their neural correlates during a face-learning task Roberts, G.M.P., Nestor, L., & Garavan, H. 2009
Syntheses of 2-amino-4,6-dichloro-5-nitropyrimidine and 2-amino-4,5,6-trichloropyrimidine: an unusual aromatic substitution S. Lopez, T. McCabe, R. S. McElhinney, T. B. H. McMurry, I. Rozas; 2009
Model of impurity segregation in graphene nanoribbons S. R. Power, V. M. de Menezes, S. B. Fagan and M. S. Ferreira 2009
Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy Shin D, Foord J.S., Payne D.J., Arnold T., Aston D.J., Egdell R.G., Godinho K.G., Scanlon D.O., Morgan B.J., Watson G.W., Mugnier E., Yaicle C., Rougier A., Colakerol L., Glans P.A., Piper L.F.J. and Smith, K.E. 2009
Comment on "Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO" Stefano Sanvito and C.D. Pemmaraju 2009
X-ray spectroscopic study of the electronic structure of CuCrO2 T. Arnold, D. J. Payne, A. Bourlange, J. P. Hu, R. G. Egdell, L. F. J. Piper, L. Colakerol, A. De Masi, P. A. Glans, T. Learmonth, K. E. Smith, J. Guo, D. O. Scanlon, A. Walsh, B. J. Morgan, G. W. Watson. 2009
Exploring the limits of the self consistent Born approximation for inelastic electronic transport W. Lee, N. Jean, and S. Sanvito 2009
A genome-wide linkage and association scan reveals novel loci for autism. Weiss LA, Arking DE; Gene Discovery Project of Johns Hopkins & the Autism Consortium, Daly MJ, Chakravarti A. 2009
Predicting d0 magnetism. Andrea Droghetti, C.D. Pemmara ju, and Stefano Sanvito. 2008
Functional abnormalities of the visual processing system in subjects with mild cognitive impairment: An fMRI study. Bokde A. L., Lopez-Bayo P., Born C., Dong W., Meindl T., Leinsinger G., Teipel S. J., Faltraco F., Reiser M., Moller H. J. and Hampel H. 2008
Evaluation of an AIF correction algorithm for dynamic susceptibility contrast-enhanced perfusion MRI Brunecker P., Endres M., Nolte C. H., Schultze J., Wegener S., Jungehulsing G. J., Muller B., Kerskens C. M., Fiebach J. B., Villringer A. and Steinbrink J. 2008
Fasting status as a consideration for human serum collection and preparation prior to depletion and analysis. Byrne JC, Downes MR, O'Donoghue N, Fitzpatrick JM, Dunn MJ, Watson RW. 2008
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

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