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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
Toward the excited meson spectrum of dynamical QCD Jozef Dudek, Robert Edwards, Michael Peardon, David Richard, Christopher Thomas. 2010
Quantum conductance of a single magnetic atom: an ab initio study Kun Tao, I. Rungger, S. Sanvito, V.S. Stepanyuk 2010
On genome-wide association studies for family-based designs: an integrative analysis approach combining ascertained family samples with unselected controls. Lasky-Su J, Won S, Mick E, Anney RJ, Franke B, Neale B, Biederman J, Smalley SL, Loo SK, Todorov A, Faraone SV, Weiss ST, Lange C. 2010
A computationally efficient method for calculating the maximum conductance of disordered networks: Application to 1-dimensional conductors Luiz F. C. Pereira, C. G. Rocha, A. Latge, and M. S. Ferreira 2010
Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA+U Calculations Morgan, B.J. and Watson G.W. 2010
Controlled sequential dehydrogenation of single molecules by scanning tunneling microscopy Nadjib Baadji, Stefan Kuck, Jens Brede, Germar Hoffmann, Roland Wiesendanger, Stefano Sanvito 2010
Increased ventral striatal BOLD activity during non-drug reward anticipation in cannabis users Nestor, L., Hester. R., & Garavan, H. 2010
Molecular pathways involved in neuronal cell adhesion and membrane scaffolding contribute to schizophrenia and bipolar disorder susceptibility. O'Dushlaine C, Kenny E, Heron E, Donohoe G, Gill M, Morris D, International Schizophrenia Consortium, Corvin A. 2010
Magnetism of wurtzite CoO nanoclusters R. Hanafin, T. Archer, and S. Sanvito 2010
Computational modeling of a carbon nanotube-based DNA nanosensor R. Kalantari-Nejad, M. Bahrami, H. Rafi-Tabar, I. Rungger, S. Sanvito 2010
Ab initio investigation into the sensitivity of a carbon nanotube-based DNA nanosensor R. Kalantari-Nejad, M. Bahrami, H. Rafii-Tabar, I. Rungger, S. Sanvito 2010
Calculation of model Hamiltonian parameters for LaMnO_3 using maximally localized Wannier functions R. Kovácik and C. Ederer 2010
Electronic transport calculations for the conductance of Pt-1, 4-phenylene diisocyanide-Pt molecular junctions R. Zhang, M. Bai, G.i Ma, L. Sun, Z. Shen, X. Zhao, S. Hou, I. Rungger, S. Sanvito 2010
The vascular targeting agent Combretastatin-A4 and a novel cis-restricted {beta}-lactam analogue CA-432 induce apoptosis in human chronic myeloid leukemia cells and in ex vivo patient samples including those displaying multidrug resistance reene LM, Nathwani SM, Bright SA, Fayne D, Croke A, Gargliardi M, Mc Elligott AM, O'Connor L, Carr M, Keely NO, O'Boyle NM, Carroll P, Sarkadi B, Conneally E, Lloyd DG, Lawler M, Meegan MJ, Zisterer DM. 2010
Evidence of increased activation underlying cognitive control in ecstasy and cannabis users. Roberts, G.M.P. & Garavan, H. 2010
Electron transport across electrically switchable magnetic molecules S. K. Shukla and S. Sanvito 2010
The rise of spinterface science S. Sanvito 2010
Understanding conductivity anomalies in CuI-based delafossite transparent conducting oxides: Theoretical insights Scanlon D.O., Godinho K.G., Morgan B.J. and Watson G.W. 2010
Theoretical and experimental study of the electronic structure of MoO3 and MoO2 Scanlon D.O., Watson G.W., Payne, D. J., Atkinson, G.R., Egdell, R.G. and Law, D.S.L. 2010
Executive Function and Error Detection: The Effect of Motivation on Cingulate and Ventral Striatum Activity Simões-Franklin, C., Hester, R., Shpaner, M., Foxe, J., & Garavan, H. 2010
Emotional lability in children and adolescents with attention deficit/hyperactivity disorder (ADHD): clinical correlates and familial prevalence. Sobanski E, Banaschewski T, Asherson P, Buitelaar J, Chen W, Franke B, Holtmann M, Krumm B, Sergeant J, Sonuga-Barke E, Stringaris A, Taylor E, Anney R, Ebstein RP, Gill M, Miranda A, Mulas F, Oades RD, Roeyers H, Rothenberger A, Steinhausen HC, Faraone SV. 2010
Seeing the spin through Stefano Sanvito 2010
Magnetic interaction of Co ions near the (1010) ZnO surface T. Archer, C.D. Pemmaraju, S. Sanvito 2010
Oxytocin receptor (OXTR) does not play a major role in the aetiology of autism: genetic and molecular studies. Tansey KE, Brookes KJ, Hill MJ, Cochrane LE, Gill M, Skuse D, Correia C, Vicente A, Kent L, Gallagher L, Anney RJ. 2010
Indirect magnetic coupling in light-element-doped single-walled carbon nanotubes V. Krstić, C. P. Ewels, T. Wågberg, M. S. Ferreira, A. M. Janssens, O. Stéphan, M. Glerup 2010

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