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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
Assessing neuronal networks: understanding Alzheimer's disease. Bokde A.L., Ewers M. & Hampel H. 2009
Decreased activation along the dorsal visual pathway after a 3-month treatment with galantamine in mild Alzheimer disease: a functional magnetic resonance imaging study. Bokde A.L., Karmann M., Teipel S.J., Born C., Lieb M., Reiser M.F., Moller H.J. & Hampel H. 2009
Functional developmental changes underlying response inhibition and error-detection processes Braet, W., Johnson, K.A., Tobin, C.T., Acheson, R., Bellgrove, M.A., Robertson, I.H., & Garavan, H. 2009
2D-DIGE as a Strategy To Identify Serum Markers for the Progression of Prostate Cancer. Byrne JC, Downes MR, O'Donoghue N, O'Keane C, O'Neill A, Fan Y, Fitzpatrick JM, Dunn MJ, Watson RW. 2009
Nonequilibrium Green's function study of Pd4 -cluster-functionalized carbon nanotubes as hydrogen sensors. C. Cao, A. F. Kemper, L. Agapito, J.-W. Zhang, Y. He, A. Rinzler, H.-P. Cheng, X.-G. Zhang, A.R. Rocha, and Stefano Sanvito. 2009
Ab initio calculation of the bias-dependent transport properties of Mn12 molecules C. D. Pemmaraju, I. Rungger, and S. Sanvito 2009
Electronic transport properties of 1,1’-ferrocence dicarboxylic acid linked to Al(111) electrodes C. Morari, A.R. Rocha, S. Sanvito, S. Melinte, G.-M. Rignanese 2009
Evidence for rate and common genetic risk variants for schizophrenia at a protein kinase C, alpha. Carroll LS, Williams NM, Moskvina V, Russell E, Norton N, Williams HJ, Peirce T, Georgieva L, Dwyer S, Grozeva D, Greene E, Farmer A, McGuffin P, Morris DW, Corvin A, Gill M, Rujescu D, Sham P, Holmans P, Jones I, Kirov G, Craddock N, O’Donovan MC, Owen MJ. 2009
Insights into the neural basis of response inhibition from cognitive and clinical neuroscience. Chambers C.D., Garavan H. & Bellgrove M. A. 2009
Enhanced spin-valve effect in magnetically doped carbon nanotubes D. F. Kirwan, V. M. de Menezes, C. G. Rocha, A. T. Costa, R. B. Muniz, S. B. Fagan and M. S. Ferreira 2009
Competing Defect Mechanisms and Hydrogen Adsorption on Li-doped MgO Low Index Surfaces: A DFT+U study D. O. Scanlon, A. Walsh, B. J. Morgan, G. W. Watson 2009
Effect of Cr substitution on the electronic structure of CuAl1-xCrxO2 D. O. Scanlon, A. Walsh, B. J. Morgan, G. W. Watson, D. J. Payne, R. G. Egdell. 2009
Understanding the p-type conduction properties of transparent conducting oxide CuBO2: A density functional theory analysis D. O. Scanlon, A. Walsh, G. W. Watson 2009
Modelling the Polaronic Nature of p-type Defects in Cu2O: the Failure of GGA and GGA+U D. O. Scanlon, B. J. Morgan, G. W. Watson 2009
Acceptor Levels in p-Type Cu2O; Rationalizing Theory and Experiment, D. O. Scanlon, B. J. Morgan, G. W. Watson. A. Walsh 2009
(Cu2S2)(Sr3Sc2O5)-A Layered, Direct Band Gap, p-Type Transparent Conducting Oxychalcogenide: A Theoretical Analysis D. O. Scanlon, G. W. Watson 2009
Reactivity on the (110) Surface of Ceria: A GGA+U Study of Surface Reduction and the Adsorption of CO and NO2, D. O. Scanlon, N. M. Galea, B. J. Morgan, G. W. Watson 2009
A molecular dynamics investigation of the stability of a charged electroactive polymer monolayer D.A. Morton-Blake and D. Leith 2009
Molecular Dynamics of Ions in two Forms of an Electroactive Polymer D.A. Morton-Blake and Darren Leith 2009
Is "clinical" insight the same as "cognitive" insight in schizophrenia? Donohoe G, Hayden J, McGlade N, O'Gráda C, Burke T, Barry S, Behan C, Dinan TG, O'Callaghan E, Gill M, Corvin AP 2009
Novel predictive tools for Irish radical prostatectomy pathological outcomes: development and validation. Fanning DM, Yue F, Fitzpatrick JM, Watson RW. 2009
Prefrontal and midline interactions mediating behavioural control. Fassbender, C., Murphy, K., Hester, R., Foxe, J. J., Foxe, D. M., Javitt, D. C., & Garavan, H. 2009
The HIF-1alpha C1772T polymorphism may be associated with susceptibility to clinically localised prostate cancer but not with elevated expression of hypoxic biomarkers. Foley R, Marignol L, Thomas AZ, Cullen IM, Perry AS, Tewari P, O'Grady A, Kay E, Dunne B, Loftus B, Watson RW, Fitzpatrick JM, Woodson K, Lehman T, Hollywood D, Lynch TH, Lawler M. 2009
Functional Connectivity Bias of the Orbitofrontal Cortex in Drug-Free Patients with Major Depression Frodl T, Bokde AL, Scheuerecker J, Lisiecka D, Schoepf V, Hampel H, Moller HJ, Bruckmann H, Wiesmann M & Meisenzahl E 2009
The Neurocircuitry of Impaired Insight in Drug Addiction. Goldstein, R.Z., Craig, A.D., Bechara, A., Garavan, H., Childress, A.R., Paulus, M.P., & Volkow, N.D. 2009

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