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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
Reflectance anisotropy of the anatase TiO2(001)-(4x1) surface P. Kumar and C. H. Patterson 2014
Spin transport properties of triarylamine-based nanowires. Sandip Bhattacharya, Akinlolu Akande, and Stefano Sanvito. 2014
Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe Scanlon,David O. D.O., Buckeridge,John J., Callow,C. Richard A. C.R.A., Watson,Graeme W. G.W. 2014
Cleavage of 2-(Arylamino)-4,6-dimethoxypyrimidines to yield arylguanidines Shaw, J.W. Grayson, D.H. Rozas, I. 2014
Valence-band density of states and surface electron accumulation in epitaxial SnO2 films Vasheghani Farahani,Sepehr K. S.K., Veal,Tim D. T.D., Mudd,James J. J.J., Scanlon,David O. D.O., Watson,Graeme W. G.W., Bierwagen,Oliver O., White,Mark E. M.E., Speck,James J., Mcconville,Chris F. C.F. 2014
Interface stoichiometry control to improve device voltage and modify band alignment in ZnO/Cu2O heterojunction solar cells Wilson,Samantha S. S.S., Bosco,Jeffrey P. J.P., Tolstova,Yulia Y., Scanlon,David O. D.O., Watson,Graeme W. G.W., Atwater,Harry A. H.A. 2014
Strategy for detection of electrostatic spin-crossover e↵ect in mag- netic molecules. A. Hurley and S. Sanvito. 2013
Spin-pumping and inelastic electron tunneling spec- troscopy in topological insulators. A. Hurley, A. Narayan, and S. Sanvito. 2013
Gate controlled spin pumping at a quantum spin Hall edge. A. Narayan, A. Hurley, and S. Sanvito. 2013
Time-dependent electron transport through a strongly correlated quantum dot: multiple-probe open-boundary conditions approach A. Pertsova, M. Stamenova and S. Sanvito 2013
Constrained- DFT method for accurate energy-level alignment of metal/molecule interfaces. A.M. Souza, I. Rungger, C.D. Pemmaraju, U. Schwingenschloegl, and S. Sanvito. 2013
Electronic structures of antimony oxides Allen, J.P., Carey, J.J., Walsh, A., Scanlon, D.O., Watson, G.W. 2013
Understanding the defect chemistry of tin monoxide Allen, J.P., Scanlon, D.O., Piper, L.F.J., Watson, G.W. 2013
Reducing the chemical expansion coefficient in ceria by addition of zirconia Bishop, SR, Marrocchelli, D, Fang, W, Amezawa, K, Yashiro, K, Watson, GW 2013
Non-covalent interactions: Complexes of guanidinium with DNA and RNA nucleobases Blanco, F., Kelly, B., Sanchez-Sanz, G., Trujillo, C., Alkorta, I., Elguero, J., Rozas, I. 2013
Energy-band alignment of II-VI/Zn3P2 heterojunctions from x-ray photoemission spectroscopy Bosco, J.P., Scanlon, D.O., Watson, G.W., Lewis, N.S., Atwater, H.A. 2013
Aminoalkyl derivatives of guanidine di-aromatic minor groove binders with antiprotozoal activity C. McKeever, M. Kaiser, I. Rozas 2013
Brain-derived neurotrophic factor Val66Met polymorphism and early life adversity affect hippocampal volume Carballedo A, Morris D, Zill P, Fahey C, Reinhold E, Meisenzahl E, Bondy B, Gill M, Möller HJ, Frodl T 2013
The band structure of WO3 and non-rigid-band behaviour in Na0.67WO3 derived from soft x-ray spectroscopy and density functional theory Chen, B, Laverock, J, Piper, LFJ, Preston, ARH, Cho, SW, DeMasi, A, Smith, KE, Scanlon, DO, Watson, GW, Egdell, RG, Glans, PA, Guo, JH 2013
Identification of risk loci with shared effects on five major psychiatric disorders: a genome-wide analysis Cross-Disorder Group of the Psychiatric Genomics Consortium, Smoller JW, Craddock N, Kendler K, Lee PH, Neale BM, Nurnberger JI, Ripke S, Santangelo S, Sullivan PF 2013
Mood congruent psychotic symptoms and specific cognitive deficits in carriers of the novel schizophrenia risk variant at MIR-137 Cummings E, Donohoe G, Hargreaves A, Moore S, Fahey C, Dinan TG, McDonald C, O'Callaghan E, O'Neill FA, Waddington JL, Murphy KC, Morris DW, Gill M, Corvin A 2013
Neuropsychological Effects Of The CSMD1 Genome-Wide Associated Schizophrenia Risk Variant rs10503253 Donohoe G, Walters J, Hargreaves A, Rose EJ, Morris DW, Fahey C, Bellini S, Cummins E, Giegling I, Hartmann AM, Möller HJ, Muglia P, Owen MJ, Gill M, O'Donovan MC, Tropea D, Rujescu D, Corvin A 2013
Spin- Polarized Transport through Single-Molecule Magnet Mn6 Complexes. Eduard Cremades, Chaitanya Das Pemmaraju, Stefano Sanvito, and Eliseo Ruiz. 2013
S wave bottomonium states moving in a quark-gluon plasma from lattice NRQCD G.Aarts, C.Allton, S.Kim, M.P.Lombardo, M.B.Oktay, S.M.Ryan, D.K.Sinclair and J.-I.Skullerud 2013
Implication of a Rare Deletion at Distal 16p11.2 in Schizophrenia Guha S, Rees E, Darvasi A, Ivanov D, Ikeda M, Bergen SE, Magnusson PK, Cormican P, Morris D, Gill M, Cichon S, Rosenfeld JA, Lee A, Gregersen PK, Kane JM, Malhotra AK, Rietschel M, Nöthen MM, Degenhardt F, Priebe L, Breuer R, Strohmaier J, Psych D, Ruderfer DM, Moran JL, Chambert KD, Sanders AR, Shi J, Kendler K, Riley B, O'Neill T, Walsh D, Malhotra D, Corvin A, Purcell S, Sklar P, Iwata N, Hultman CM, Sullivan PF, Sebat J, McCarthy S, Gejman PV, Levinson DF, Owen MJ, O'Donovan MC, Lencz T, Kirov G 2013

Last updated 23 Oct 2017Contact Research IT.