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(Revised 12th February 2004)

TCM Publications in 2001

  • O. BAKAJIN, T.A.J. DUKE, J. TEGENFELD, C.F. CHOU, S.S. CHAN, R.H. AUSTIN and E.C. COX “Separation of 100 kilobase DNA molecules in 10 seconds” Anal. Chem.73, 6053-6056 (2001).
  • P.A. BERMEL and M. WARNER “Photonic band structure of highly deformable, self-assembling systems” Phys. Rev. E 65, 010702-010704(2001).
  • A. BOSENICK, M.T. DOVE, V. HEINE and C.A. GEIGER “Scaling of thermodynamic mixing properties in solid solution minerals” Phys. Chem. Minerals 28, 177-187 (2001).
  • M. BOU-DIAB, M.J.W. DODGSON and G. BLATTER “Vortex collisions: Crossing or Recombination?” Phys. Rev. Letters 86, 5132-5135 (2001).
  • L.V. BUTOV, A.L. IVANOV, A. IMAMOGLU, P.B. LITTLEWOOD, A.A. SHASHKIN, V.T. DOLGOPOLOV, K.L. CAMPMAN, and A.C. GOSSARD “Stimulated scattering of indirect excitons in coupled quantum wells – signature of degenerate Bose-gas of excitons” Phys. Rev. Letters 86, 5608-5611 (2001).
  • N.R. COOPER, N.K. WILKIN and J.M.F. GUNN “Quantum phases of vortices in rotating atomic Bose-Einstein condensates” Phys. Rev. Letters 87, 120405-120409 (2001).
  • M. COTE, P.D. HAYNES and C. MOLTENI “Boron Nitride polymers: Building blocks for organic electronic devices” Phys. Rev. B 63, 125207-1-125207-4 (2001).
  • S.M. CLARKE, A.R. TAJBAKHSH, E.M. TERENTJEV and M. WARNER “Anomalous viscoelastic response of nematic elastomers” Phys. Rev. Letters 86, 4044-4048 (2001).
  • T.A.J. DUKE, N. LA NOVERE and D. BRAY, “Conformational spread in a ring of proteins: A stochastic approach to allostery” J. Mol. Biol. 308, 541-553 (2001).
  • T. DUKE and D. BRAY “Conformational spread in ring of proteins: A generic mechanism of allosteric switching” Biophys. J. 80, 1003 (2001).
  • P.R. EASTHAM and P.B. LITTLEWOOD “Bose condensation of cavity polaritons beyond the linear regime: the thermal equilibrium of a model microcavity” Phys. Rev. B. 64, 235101-235112 (2001).
  • B. FARID “Dynamical correlation functions expressed in terms pf many-particle ground-state wavefunction; the dynamical self-energy operator” Philosophical Magazine, Part B, 1-116 (2001).
  • B. FARID “The Quantum Mechanics Solver; How to apply Quantum Theory to modern Physics” by J.L. Basdevant and J. Dalibard (Springer Verlag) Book Review, Contemporary Physics 42, 143 (2001).
  • V. FERRARI, M.J. ROZENBERG and R. WEHT “The anomalous metallic ferromagnetic state of Sr doped manganites” Mod. Phys. Letters B15, 1031-1040 (2001).
  • T.M.A. FINK and R.C. BALL “How many conformations can a protein remember?” Phys. Rev. Letters 87, 198103-1-198103-4(2001).
  • H. FINKELMAN, E. NISHIKAWA, G.G. PERIERA and M. WARNER “A new opto-mechanical effect in solids” Phys. Rev. Letters 87, 155011-155014 (2001).
  • H. FINKELMANN, A. GREVE and M. WARNER “The Elastic Anisotropy of Nematic Solids” Eur. J. Phys. E. 5, 281-293 (2001).
  • W.M.C. FOULKES, L. MITAS, R.J. NEEDS and G. RAJAGOPAL “Quantum Monte Carlo simulations of solids” Rev. Mod. Phys. 73, 33-83 (2001).
  • C.K. GAN, P.D. HAYNES and M.C. PAYNE “First-principles density-functional calculations using localized spherical-wave basis sets” Phys. Rev. B 63, 51091-51098 (2001).
  • C.K. GAN, P.D. HAYNES and M.C. PAYNE “Preconditioned conjugate gradient method for the sparse generalized eigenvalue problem in electronic structure calculations” Comp. Phys. Comm. 134, (1) 33-40 (2001).
  • R. GAUDOIN, M. NEKOVEE, W.M.C. FOULKES, R.J. NEEDS, and G. RAJAGOPAL “Inhomogeneous random-phase approximation and many-electron trial wave functions” Phys Rev. B 63, 1151151-11511515 (2001).
  • S.A. GRIGERA, R.S. PERRY, A.J. SCHOFIELD, M. CHIAO, S.R. JULIAN, G.G. LONZARICH, S.I. IKEDA, Y. MAENO, A.J. MILLIS and A.P. MACKENZIE “Magnetic field-tuned quantum criticality in the metallic ruthenate Sr3Ru207” Science 294, 329-332 (2001).
  • P.D. HAYNES, C.K. GAN and M.C. PAYNE “Density-matrix minimization techniques for linear-scaling DFT calculations using non-orthogonal localized basis” Abs. Am. Chem. Soc. 221, 108 (2001).
  • V. HEINE “Summary remarks” in JK2000: Proceedings of the 3rd Japan-Korea Joint Workshop on First-Principles Electronic Structure Calculations, Tsukuba 30. Oct – 1. Nov 2000. T. Ohno Ed., (NRIM Tsukuba 2001) pp. 314-318.
  • V. HEINE “Principles of computer simulation in solid solutions in silicate and oxide systems” European Mineralogical Union Notes in Mineralogy 3, 209-224 (2001).
  • M. HYTHA, I. STICH, J.D. GALE, K. TERAKURA and M.C. PAYNE “Thermodynamics of catalytic formation of dimethyl ether from methanol in acidic zeolites” Chemistry A Eur. J. 7, 2521-2527 (2001).
  • A.L. IVANOV and P.B. LITTLEWOOD “Acoustically induced Stark effect for excitons in intrinsic semiconductors – art no.136403” Phys. Rev. Letters 87, 136403-136407 (2001).
  • M.R. JARVIS, R. PEREZ and M.C. PAYNE “Can atomic force microscopy achieve atomic resolution in contact mode?” Phys. Rev. Letters 86, 1287-1290 (2001).
  • D.N. JAYAWARDANE, C.J. PICKARD, L.M. BROWN, and M.C. PAYNE “Cubic boron nitride: Experimental and theoretical energy-loss near-edge structure” Phys. Rev. B 64, 5107-5110 (2001).
  • B.D. JOSEPHSON “Beyond quantum theory: a realist psych-biological interpretation of reality’ revisited” BioSystems 64, 43-45 (2001).
  • B.D. JOSEPHSON “Constructional tools as the origin of cognitive capacities” Computing Anticipatory Systems Eds. D.M.. Dubois, AIP Conf. Procs. 573, 31-35 (2001).
  • F. JULICHER, D. ANDOR and T.A.J. DUKE “Physical basis of two-tone interference in hearing” Biophys. Appl. Phys. Sciences 98, 9080-9085 (2001).
  • N.I. KARCHEV, K.B. BLAGOEV, K.S. BEDELL and P.B. LITTLEWOOD “Coexistence of superconductivity and ferromagnetism in ferromagnetic metals” Phys. Rev. Letters 86, 846-849 (2001).
  • A. LAMACRAFT and B.D. SIMONS “Superconductors with magnetic impurities: Instantons and subgap states” Phys. Rev. B64, 14514-14517 (2001).
  • R.B. LAUGHLIN, G.G. LONZARICH P. MONTHOUX and D. PINES “The quantum criticality conundrum” Advances in Phys. 50, 361-365 (2001).
  • W-K. LEUNG, R.J. NEEDS, G. RAJAGOPAL, S. ITOH and S. IHARA “Quantum Monte Carlo study of silicon self-interstitial defects” VLSI Design13, 229-235 (2001).
  • Y. MAO, P. TEXEIRA, T. McLEISH and D. READ “Asymmetric landscapes of early spinodal decomposition” Euro. Phys. J. E. 6,69-77 (2001).
  • Y. MAO, E.M. TERENTJEV and M. WARNER “Cholesteric elastomers: Deformable photonic solids” Phys. Rev E 64, 41803-41807 (2001).
  • Y. MAO and M. WARNER “Imprinted networks as chiral pumps” Phys. Rev. Letters 86, 5309-5312 (2001).
  • Y. MAO “Excluded Volume Effects in Polymer Solutions” Contemporary Physics 42, 67-68 (2001).
  • F.M. MARCHETTI and B.D. SIMONS “Optimal fluctuations and tail states of non-Hermitian operators” J. Phys. A Math Gen. 34, 10805-10828 (2001).
  • R. MARTONAK, C. MOLTENI and M. PARRINELLO “A new constant-pressure ab-initio/classical molecular dynamics method: simulation of pressure-induced amorphization in a Si35H36 cluster” Comp. Mat. Sci. 20, 293-299 (2001)
  • N.D. MATHUR and P.B. LITTLEWOOD “The self-organised phases of manganites” Solid State Comm. 119, 271-280 (2001).
  • F. MAURI, N. VAST and C.J. PICKARD “Atomic structure of icosahedral B4C Boron Carbide from a first principles analysis of NMR spectra” Phys. Rev. Letters 87, 5506-5509 (2001).
  • J.S. MEYER and B.D. SIMONS “Gap fluctuations in inhomogeneous superconductors” Phys. Rev. B 64, 134516-134519 (2001).
  • A.J. MILLIS, D. MORR and J. SCHMALIAN “Local Defect in metallic Quantum Critical Systems” Phys. Rev. Letters 87, 167202-167206 (2001).
  • V. MILMAN, E.V. AKHMATSKAYA, R.H. NOBES, B. WINKLER, C.J. PICKARD, and J.A. WHITE “Systematic ab initio study of the compressibility of silicate garnets” Acta Crystallographica B 57, 163-177 (2001).
  • G.C. MILWARD and C. WILKIN “The quantum probability equation: II – Scattering state perturbation theory” J. Phys. A 34, 5101-5110 (2001).
  • C. MOLTENI, I. FRANK and M. PARRINELLO “Modelling photoreactions in proteins by density functional theory” Comp. Mat. Sci. 20, 311-317 (2001).
  • C. MOLTENI, R. MARTONAK and M. PARRINELLO “First principles molecular dynamics simulations of pressure-induced structural transformations in silicon clusters” J. Chem. Phys. 114, 5358-5365 (2001).
  • P. MONTHOUX and G.G. LONZARICH “Magnetically mediated superconductivity in quasi-two and three dimensions” Phys. Rev. B 63, 054529 (2001).
  • A. MUJICA, S. RADESCU, A. MUNOZ and R.J. NEEDS “High-pressure phases of germanium” J. Phys. Condens. Matter 13, 35-42 (2001).
  • A. MUJICA, S. RADESCU, A. MUNOZ and R.J. NEEDS “Comparative study of novel structures in silicon and geranium” Physica Status Solidi (b) 223, 379-384 (2001).
  • R.J. NEEDS and M.D. TOWLER “The diffusion quantum Monte Carlo method: designing trial wave functions for NiO” Proceedings of the 11th international conference on recent progress in many-body theories, Eds. R.F. Bishop and N.R. Walet. World Scientific (2001).
  • R.J. NEEDS, A.R. PORTER and M.D. TOWLER “Quantum Monte Carlo calculations for excited electronic states” Recent advances in Quantum Monte Carlo Methods II, ed. S. Rothstein. World Scientific (2001).
  • R.J. NEEDS, P.R.C. KENT, A.R. PORTER, M.D. TOWLER and G. RAJAGOPAL “Quantum Monte Carlo calculations for ground and excited states” J. Quantum Chem. 86, 218-225 (2001).
  • M. NEKOVEE, W.M.C. FOULKES, and R.J. NEEDS “Quantum Monte Carlo analysis of exchange and correlation in the strongly inhomogeneous electron gas” Phys. Rev. Letters 87, 6401-6404 (2001).
  • M.C. PAYNE, M. HYTHA, I. STITCH, J.D. GALE and K. TERAKURA “First principles calculation of the free energy barrier for the reaction of methanol in a zeolite catalyst” Microporous and Mesophrous Mats. 48, 375-378 (2001).
  • G.G. PEREIRA and D.R.M. WILLIAMS “Toroidal condensates of semi-flexible polymers in poor solvents: Adsorption, stretching and compression” Biophys. J. 80, 161-168 (2001).
  • G.G. PEREIRA “Cylindrical phase of block copolymers: Stability of circular configuration to elliptical distortions and thin film morphologies” Phys. Rev. E. 63, 1809-1814 (2001).
  • G.G. PEREIRA and M. WARNER “General semi-soft effects in nematic elastomers and their effect on phase equilibria and elastic moduli” Eur. J. Phys. E 5, 295-307 (2001).
  • G.G. PEREIRA and M. WARNER “Mechanical and order rigidity of nematic elastomers” Eur. J. Phys. J. E 3, 295-307 (2001).
  • C. PETROVIC, P.G. PAGLIUSO, M.F. HUNDLEY, R. MOVSHOVICH, J.L. SARRAO, J.D. THOMPSON, Z. FISK and P. MONTHOUX “Heavy-fermion superconductivity in CeCoIn5 at 2.3K” J. Phys. Condens. Mat. 13, L337-342 (2001).
  • C.J. PICKARD, V. MILMAN and B. WINKLER “Is there theoretical evidence for a metallic carbon polymorph with space group symmetry Fm(3) over-barm at ambient conditions?” Diamond and Related Materials 10, 2225-2227 (2001).
  • C. PETROVIC, P.G. PAGLIUSO, M.F. HUNDLEY, R. MOVSHOVICH, J.L. SARRAO, J.D. THOMPSON, Z. FISK and P. MONTHOUX “Heavy-fermion superconductivity in CeCoIn5 at 2.3 K” J. Phys. Condens. Matter 13, 337-342 (2001).
  • C.J. PICKARD and F. MAURI “All-electron magnetic response with  pseudopotentials: NMR chemical shifts” Phys. Rev. B 63, 245101-245112 (2001).
  • C.J. PICKARD, V. MILMAN and B. WINKLER “Is there theoretical evidence for a metallic carbon polymorph with space group symmetry Fm (3) over-barm at ambient conditions?” Diamond and Related Mats. 10, 2225-2227 (2001).
  • A.R. PORTER, M.D. TOWLER and R.J. NEEDS “Excitons in Small Hydrogenated Si Clusters” Phys Rev. B 64, 5320-5324 (2001).
  • A.R. PORTER, O.K. AL-MUSHADANI, M.D. TOWLER and R.J. NEEDS “Electronic excited-state wave functions for quantum Monte Carlo: Application to silane and methane” J. Chem. Phys.114, 7795-7804 (2001).
  • M.I.J. PROBERT “Comment on “Algorithm for normal random numbers” Phys. Rev. E 63, 58701-58712 (2001).
  • J. RUBIO, L. PFEIFFER, M.H. SZYMANSKA, A. PINCZUK, S. HE, H.U. BARANGER, P.B. LITTLEWOOD, K.W. WEST and B.S. DENNIS “Coexistence of excitonic lasing with electron-hole plasma spontaneous emission in one-dimensional semiconductor structures” Sol. Stat. Comm. 120, 423-427 (2001).
  • R. ROUSSEV and A.J. MILLIS “Quantum critical effects on the transition temperature of magnetically mediated p-wave superconductivity” Phys. Rev. B 63, 140504-140508 (2001).
  • K.G. SANDEMAN and A.J. SCHOFIELD “Model of anisotropic scattering in a quasi-two-dimensional metal” Phys. Rev. B 63,94510-94521 (2001).
  • S.S. SAXENA and P.B. LITTLEWOOD “Superconductivity - Iron cast in exotic Role” Nature 412, 290-291 (2001).
  • S.S. SAXENA, P. AGARWAL, K. AHILAN, F.M. GROSCHE, R.K.W. HASELWIMMER, M.J. STEINER, E. PUGH, I.R. WALKER, S.R. JULIAN, P. MONTHOUX, G.G. LONZARICH, A. HUXLEY, I. SHEIKIN, D. BRAITHWEITE and J. FLOUQUET “Superconductivity on the border of itinerant electron ferromagnetism in Uge2” J. Magn. & Magn. Mat. 226, 45-47 (2001).
  • Y. SHI “Entanglement between Bose-Einstein condensates” Int. J Mod. Phys. B 15, 3007-3030 (2001).
  • Y. SHI “Effects of thermal fluctuation and receptor-receptor interaction on bacterial chemotactic signaling and adaptation” Phys. Rev. E 64, 21910-21914 (2001).
  • C-K. SKYLARIS, A.A. MOSTOFI, P. D. HAYNES, C. J. PICKARD and M. C. PAYNE “Accurate kinetic energy evaluation in electronic structure calculations with localized functions on real space grids” Comp. Phys. Comm. 140, 315-322 (2001).
  • K. SUENAGA, E. SANDRÉ, C. COLLIEX, C.J. PICKARD, H. KATAURA, and S. IJIMA “Electron energy-loss spectroscopy of electron states in isolated carbon nanostructures. “Phys. Rev. B 63, 165408-165412 (2001).
  • M.H. SZYMANSKA, P.B. LITTLEWOOD and R.J. NEEDS “Excitons in T-shaped quantum wires” Phys. Rev. B 63, 205317-205324 (2001).
  • A. TAJBAKHSH, S.C. MORATTI, A. KOCH and M. WARNER “Hyperbranched architectures for NLO polymers” Molecular Crystals and Liquid Crystals 356, 175-183 (2001).
  • V.I. TALYANSKII, D. NOVIKOV, B.D. SIMONS and L.S. LEVITOV “Quantized adiabatic charge transport in carbon nanotube” Phys. Rev. Letters 87, 276802-276804 (2001).
  • E.M. TERENTJEV and M. WARNER “Linear hydrodynamics and viscoelasticity of nematic elastomers” Eur. J. Phys. E. 4, 343-353 (2001).
  • J. TEGENFELD, O. BAKAJIN, J. CHOU, S. CHAN, R. AUSTIN, W. FANN, L. LIOU, E.CHAN, T. DUKE and E. COX, “A near-field scanner for moving molecules” Phys. Rev. Letters 86, 1378-1381 (2001).
  • M.D. TOWLER and R.J. NEEDS “The CASINO program:quantum Monte Carlo in molecular quantum chemistry and condensed matter physics” Quantum Monte Carlo: Recent advances and common problems in condensed matter and filed theory (ETS, Pisa) (2001).
  • K. TRACHENKO, M.T. DOVE and E.K.H. SALJE “Atomistic modelling of radiation damage in zircon” J. Phys. Condens. Mat. 13, 1947-1959 (2001). M. TURLAKOV and A.J. LEGGETT “Interlayer c-axis transport in the normal state of cuprates” Phys. Rev. B 63, 0645181-8 (2001).
  • A. VILFAN “The Binding Dynamics of Tropomyosin on Actin” Biophys. J. 81, 3146-3155 (2001).
  • A. VILFAN, E. FREY, F. SCHWABL, M. THORMAHLEN, Y-H. SONG and E. MANDELKOW “Dynamics and cooperativity of microtubule decoration by the motor protein kinesin” J. Molec. Biol. 312, 1011-1026 (2001).
  • A. VILFAN, E. FREY and F. SCHWABL “Relaxation kinetics of biological dimer adsorption models” Europhys. Letters 56, 420-426 (2001).
  • B. WINKLER, M. HYTHA, C.J. PICKARD, V. MILMAN, M. WARREN, and M. SEGALL “Theoretical investigation of bonding in diaspore” European Journal of Mineralogy, 13, 343-349 (2001).
  • B. WINKLER, C.J. PICKARD, M.D. SEGALL and V. MILMAN “Density-functional study of charge disordering in Cs2Au(I)Au(III)Cl6 under pressure” Phys. Rev. B, 63, 4103-4107 (2001).