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Institute for Mathematical Sciences

Representative publications

Paterson MJ, Bearpark MJ, Robb MA, Blancafort L, The curvature of the conical intersection seam: an approximate second-order analysis, Journal of Chemical Physics , 2004, Vol: 121, Pages: 11562 - 11571

Worth GA, Robb MA, Burghardt I, A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets, Faraday Discussions , 2004, Vol: 127, Pages: 307 - 323

Migani A, Olivucci M, Robb MA, Buss V, Hunt P, Probing the photochemical funnel of a retinal chromophore model via zero-point energy sampling semiclassical dynamics, Journal of Physical Chemistry A , 2004, Vol: 108, Pages: 4685 - 4693

Klene M, Robb MA, Blancafort L, Frisch MJ, A new efficient approach to the direct restricted active space self-consistent field method, Journal of Chemical Physics , 2003, Vol: 119, Pages: 713 - 728

Cho BM, Walker RC, Amer H, Mercer I, Klug DR, Gould IR, Effect of adiabaticity on electron dynamics in zinc myoglobin, Journal of Physical Chemistry B , 2005, Vol: 109, Pages: 5954 - 5961

Walker RC, de Souza MM, Mercer IP, Gould IR, Klug DR, Large and fast relaxations inside a protein: calculation and measurement of reorganization energies in alcohol dehydrogenase, Journal of Physical Chemistry B , 2002, Vol: 106, Pages: 11658 - 11665

Gould IR, Computational chemistry: application to biological systems, Molecular Simulation , 2001, Vol: 26, Pages: 73 - 84

Cubero D, Yaliraki SN, Inhomogeneous multiscale dynamics in harmonic lattices (Article no. 034108), Journal of Chemical Physics , 2005, Vol: 122, Pages: N/A - N/A

Burke MG, Woscholski R, Yaliraki SN, Differential hydrophobicity drives self-assembly in Huntington's disease, Proceedings of the National Academy of Sciences of the United States of America , 2003, Vol: 100, Pages: 13928 - 13933

Barahona M, Pecora LM, Synchronization in small-world systems, Physical Review Letters , 2002, Vol: 89, Pages: art - 054101

Poon CS, Barahona M, Titration of chaos with added noise, Proceedings of the National Academy of Sciences of the United States of America , 2001, Vol: 98, Pages: 7107 - 7112

Barahona M, Poon CS, Detection of nonlinear dynamics in short, noisy time series, Nature , 1996, Vol: 381, Pages: 215 - 217

Giordana S, Sherwin SJ, Peiro J, Doorly DJ, Papaharilaou Y, Caro CG, Watkins N, Cheshire N, Jackson M, Bicknall C, Zervas V, Automated classification of peripheral distal by-pass geometries reconstructed from medical data, Journal of Biomechanics , 2005, Vol: 38, Pages: 47 - 62

Sherwin SJ, Franke V, Peiro J, Parker KH, One-dimensional modelling of a vascular network in space-time variables, Journal of Engineering Mathematics , 2003, Vol: 47, Pages: 217 - 250

Zienkiewicz OC, Taylor RL, Sherwin SJ, Peiro J, On discontinuous Galerkin methods, International Journal for Numerical Methods in Engineering , 2003, Vol: 58, Pages: 1119 - 1148

Wang JJ, Parker KH, Wave propagation in a model of the arterial circulation, Journal of Biomechanics , 2004, Vol: 37, Pages: 457 - 470

Wang JJ, O'Brien AB, Shrive NG, Parker KH, Tyberg JV, Time-domain representation of ventricular-arterial coupling as a windkessel and wave system, American Journal of Physiology: Heart and Circulatory Physiology , 2003, Vol: 284, Pages: H1358 - H1368

Wee LY, Taylor M, Watkins N, Franke V, Parker KH, Fisk NM, Characterisation of deep arterio-venous anastomoses within monochorionic placentae by vascular casting, Placenta, 2005, Vol: 26, Pages: 19 - 24