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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
Band alignment of rutile and anatase TiO2. Scanlon DO, Dunnill CW, Buckeridge J, Shevlin SA, Logsdail AJ, Woodley SM, Catlow CR, Powell MJ, Palgrave RG, Parkin IP, Watson GW, Keal TW, Sherwood P, Walsh A, Sokol AA 2013
Band gap engineering of In2O3 by alloying with Tl2O3 Scanlon, D.O., Regoutz, A., Egdell, R.G., Morgan, D.J., Watson, G.W. 2013
No evidence that common genetic risk variation is shared between schizophrenia and autism Vorstman JA, Anney RJ, Derks EM, Gallagher L, Gill M, de Jonge MV, van Engeland H, Kahn RS, Ophoff RA; Autism Genome Project, the International Schizophrenia Consortium 2013
PbO2: From semi-metal to transparent conducting oxide by defect chemistry control Walsh, A.; Kehoe, A. B.; Temple, D. J.; Watson, G. W. and Scanlon, D. O. 2013
Persistent current and Drude weight for the one-dimensional Hubbard model from current lattice density functional theory Akinlolu Akande and Stefano Sanvito 2012
Individual common variants exert weak effects on the risk for autism spectrum disorderspi Anney R, Klei L, Pinto D, Almeida J, Bacchelli E, Baird G, Bolshakova N, Bölte S, Bolton PF, Bourgeron T, Brennan S, Brian J, Casey J, Conroy J, Correia C, Corsello C, Crawford EL, de Jonge M, Delorme R, Duketis E, Duque F, Estes A, Farrar P, Fernandez BA, Folstein SE, Fombonne E, Gilbert J, Gillberg C, Glessner JT, Green A, Green J, Guter SJ, Heron EA, Holt R, Howe JL, Hughes G, Hus V, Igliozzi R, Jacob S, Kenny GP, Kim C, Kolevzon A, Kustanovich V, Lajonchere CM, Lamb JA, Law-Smith M, Leboyer M, Le Couteur A, Leventhal BL, Liu XQ, Lombard F, Lord C, Lotspeich L, Lund SC, Magalhaes TR, Mantoulan C, McDougle CJ, Melhem NM, Merikangas A, Minshew NJ, Mirza GK, Munson J, Noakes C, Nygren G, Papanikolaou K, Pagnamenta AT, Parrini B, Paton T, Pickles A, Posey DJ, Poustka F, Ragoussis J, Regan R, Roberts W, Roeder K, Roge B, Rutter ML, Schlitt S, Shah N, Sheffield VC, Soorya L, Sousa I, Stoppioni V, Sykes N, Tancredi R, Thompson AP, Thomson S, Tryfon A, Tsiantis J, Van Engeland H, Vincent JB, Volkmar F, Vorstman JA, Wallace S, Wing K, Wittemeyer K, Wood S, Zurawiecki D, Zwaigenbaum L, Bailey AJ, Battaglia A, Cantor RM, Coon H, Cuccaro ML, Dawson G, Ennis S, Freitag CM, Geschwind DH, Haines JL, Klauck SM, McMahon WM, Maestrini E, Miller J, Monaco AP, Nelson SF, Nurnberger JI Jr, Oliveira G, Parr JR, Pericak-Vance MA, Piven J, Schellenberg GD, Scherer SW, Vicente AM, Wassink TH, Wijsman EM, Betancur C, Buxbaum JD, Cook EH, Gallagher L, Gill M, Hallmayer J, Paterson AD, Sutcliffe JS, Szatmari P, Vieland VJ, Hakonarson H, Devlin B 2012
Topological surface states scattering in antimony Awadhesh Narayan, Ivan Rungger and Stefano Sanvito 2012
The age-related deficit in LTP is associated with changes in perfusion and blood-brain barrier permeability Blau CW, Cowley TR, O'Sullivan J, Grehan B, Browne TC, Kelly L, Birch A, Murphy N, Kelly AM, Kerskens CM, Lynch MA 2012
Oxygen vacancy ordering and the conductivity maximum in Y2O3-doped CeO2 Burbano, M.; Norberg, S. T.; Hull, S.; Eriksson, S. G.; Marrocchelli, D.; Madden, P. A.; Watson, G. W. 2012
Maximally localized Wannier functions in LaMnO3 within PBE+U, hybrid functionals, and GW: an efficient route to construct ab-initio tight-binding parameters for eg perovskites C. Franchini, R. Kováčik, M. Marsman, S. Sathyanarayana Murthy, J. He, C. Ederer, and G. Kresse 2012
First Principles Study of Electron Tunneling through Ice Clotilde S. Cucinotta, Ivan Rungger and Stefano Sanvito 2012
Effects of early-life adversity on white matter diffusivity changes in patients at risk for major depression Frodl T, Carballedo A, Fagan AJ, Lisiecka D, Ferguson Y, Meaney JF 2012
Functional investigation of a schizophrenia GWAS signal at the CDC42 gene Gilks WP, Hill M, Gill M, Donohoe G, Corvin AP, Morris DW 2012
ZNF804A and social cognition in patients with schizophrenia and healthy controls Hargreaves A, Morris DW, Rose E, Fahey C, Moore S, Cummings E, Tropea D, Gill M, Corvin A, Donohoe G 2012
CNVs leading to fusion transcripts in individuals with autism spectrum disorder Holt R, Sykes NH, Conceição IC, Cazier JB, Anney RJ, Oliveira G, Gallagher L, Vicente A, Monaco AP, Pagnamenta AT 2012
Magnetism and Antiferroelectricity in MgB6 Igor Popov, Nadjib Baadji and Stefano Sanvito 2012
Analysis of intrinsic defects in CeO2 using a Koopmans-like GGA+U approach Keating, P. R. L.; Scanlon, D. O.; Morgan, B. J.; Galea, N. M.; Watson, G. W. 2012
Altered inhibition of negative emotions in subjects at family risk of major depressive disorder Lisiecka DM, Carballedo A, Fagan AJ, Connolly G, Meaney J, Frodl T 2012
Genome-wide mapping for clinically relevant predictors of lamotrigine- and phenytoin-induced hypersensitivity reactions McCormack M, Urban TJ, Shianna KV, Walley N, Pandolfo M, Depondt C, et al. 2012
Consensus computational ligand-based design for the identification of novel modulators of human Estrogen Receptor alpha McKay, PB, Fayne, D*, Horn, HW, James, T, Peters, MB, Carta, G, Caboni, L, Nevin, DK, Price, T, Bradley, G, Williams, DC, Rice, JE, Lloyd, DG 2012
Coexistance of Giant Tunneling Electroresistance and Magnetoresistance in an All-Oxide Composite Magnetic Tunnel Junction Nuala Mai Caffrey, Thomas Archer, Ivan Rungger, and Stefano Sanvito 2012
Electronic transport through EuO spin-filter tunnel junctions Nuttachai Jutong, Ivan Rungger, Cosima Schuster, Ulrich Eckern, Stefano Sanvito and Udo Schwingenschlögl 2012
A simultaneous ERP/fMRI investigation of the P300 aging effect O'Connell RG, Balsters JH, Kilcullen SM, Campbell W, Bokde AW, Lai R, Upton N, Robertson IH 2012
Schizophrenia susceptibility alleles are enriched for alleles that affect gene expression in adult human brain Richards AL, Jones L, Moskvina V, Kirov G, Gejman PV, Levinson DF, Sanders AR; Molecular Genetics of Schizophrenia Collaboration (MGS); International Schizophrenia Consortium**, Purcell S, Visscher PM, Craddock N, Owen MJ, Holmans P, O'Donovan MC 2012
The NOS1 variant rs6490121 is associated with variation in prefrontal function and gray matter density in healthy individuals Rose EJ, Greene C, Kelly S, Morris DW, Robertson IH, Fahey C, Jacobson S, O’Doherty J, Newell FN, McGrath J, Bodke A, Garavan H, Frodl T, Gill M, Corvin AP, Donohoe G 2012

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