TCM
UoC crest

Publications 2012

  1. Order parameter fluctuations at a buried quantum critical point Y Feng, J Wang, R Jaramillo, J Van Wezel, S Haravifard, G Srajer, Y Liu, Z-A Xu, PB Littlewood and TF Rosenbaum, P. Natl. Acad. Sci. USA 109 7224 - 7229 (2012)
  2. Correlated singlet phase in the one-dimensional Hubbard-Holstein model S Reja, S Yarlagadda and PB Littlewood, Phys. Rev. B 86 045110 (2012)
  3. Creation of entangled states in coupled quantum dots via adiabatic rapid passage C Creatore, RT Brierley, RT Phillips, PB Littlewood and PR Eastham, Phys. Rev. B 86 155442 (2012)
  4. Elasticity of polydomain liquid crystal elastomers JS Biggins, M Warner and K Bhattacharya, J. Mech. Phys. Solids (2012)
  5. Van der Waals interaction in magnetic bilayer graphene nanoribbons H Santos, A Ayuela, L Chico and E Artacho, Phys. Rev. B 85 245430 (2012)
  6. The activated morphology of grain boundaries in nematic solid sheets CD Modes and M Warner, Proc. SPIE 8279 (2012)
  7. Erratum: Strategies for improving the efficiency of quantum Monte Carlo calculations (Physical Review E (2011) 83 (066706) DOI:10.1103/PhysRevE.83. 066706) RM Lee, GJ Conduit, N Nemec, P López Ríos and ND Drummond, Phys. Rev. E 85 (2012)
  8. Coupled superconductors and beyond BD Josephson, Fiz. Nizk. Temp. 38 333 - 335 (2012)
  9. Discrete symmetry breaking transitions between paired superfluids MJ Bhaseen, S Ejima, FHL Essler, H Fehske, M Hohenadler and BD Simons, Phys. Rev. A 85 (2012)
  10. Radio-frequency spectra of Feshbach molecules in quasi-two-dimensional geometries SK Baur, B Fröhlich, M Feld, E Vogt, D Pertot, M Koschorreck and M Köhl, Phys. Rev. A 85 061604 (2012)
  11. Density functional theory study of phase IV of solid hydrogen CJ Pickard, M Martinez-Canales and RJ Needs, Phys. Rev. B 85 214114 (2012)
  12. Proposal of a one-dimensional electron gas in the steps at the LaAlO 3-SrTiO 3 interface NC Bristowe, T Fix, MG Blamire, PB Littlewood and E Artacho, Phys. Rev. Lett. 108 (2012)
  13. Thermal metal-insulator transition in a helical topological superconductor IC Fulga, AR Akhmerov, J Tworzydło, B Béri and CWJ Beenakker, Phys. Rev. B 86 054505 (2012)
  14. Ligand discrimination in myoglobin from linear-scaling DFT+ U DJ Cole, DD O'Regan and MC Payne, J. Phys. Chem. Lett. 3 1448 - 1452 (2012)
  15. Generalized Wannier functions: A comparison of molecular electric dipole polarizabilities DD O'Regan, MC Payne and AA Mostofi, Phys. Rev. B 85 193101 (2012)
  16. Vortex lattices for ultracold bosonic atoms in a non-Abelian gauge potential S Komineas and NR Cooper, Phys. Rev. A 85 053623 (2012)
  17. Coupled superconductors and beyond BD Josephson, Low Temp. Phys. 38 260 - 262 (2012)
  18. Ground state and dynamics of the biased dissipative two-state system: Beyond variational polaron theory A Nazir, DPS McCutcheon and AW Chin, Phys. Rev. B 85 224301 (2012)
  19. Erratum: Nonadiabatic forces in ion-solid interactions: The initial stages of radiation damage (Physical Review Letters (2012) 108 (213201)) AA Correa, J Kohanoff, E Artacho, D Sanchez-Portal and A Caro, Phys. Rev. Lett. 109 (2012)
  20. Phase stability and superconductivity of strontium under pressure DY Kim, P Srepusharawoot, CJ Pickard, RJ Needs, T Bovornratanaraks, R Ahuja and U Pinsook, Appl. Phys. Lett. 101 052604 (2012)
  21. A single progenitor population switches behavior to maintain and repair esophageal epithelium DP Doupé, MP Alcolea, A Roshan, G Zhang, AM Klein, BD Simons and PH Jones, Science 337 1091 - 1093 (2012)
  22. Defining the mode of tumour growth by clonal analysis G Driessens, B Beck, A Caauwe, BD Simons and C Blanpain, Nature 488 527 - 530 (2012)
  23. Erratum: Density functional theory study of phase IV of solid hydrogen (Physical Review B (2012) 85 (214114)) CJ Pickard, M Martinez-Canales and RJ Needs, Phys. Rev. B 86 (2012)
  24. Line of Dirac monopoles embedded in a Bose-Einstein condensate GJ Conduit, Phys. Rev. A 86 021605 (2012)
  25. Mechanical and optical bending of nematic elastomer cantilevers M Warner, Phys. Rev. E 86 022701 (2012)
  26. Distinct contribution of stem and progenitor cells to epidermal maintenance G Mascré, S Dekoninck, B Drogat, KK Youssef, S Brohée, PA Sotiropoulou, BD Simons and C Blanpain, Nature 489 257 - 262 (2012)
  27. Holographic description of finite-size effects in strongly coupled superconductors AM García-García, JE Santos and B Way, Phys. Rev. B 86 064526 (2012)
  28. High-polarization limit of the quasi-two-dimensional Fermi gas J Levinsen and SK Baur, Phys. Rev. A 86 (2012)
  29. High-pressure ionic and molecular phases of ammonia within density functional theory GIG Griffiths, RJ Needs and CJ Pickard, Phys. Rev. B 86 144102 (2012)
  30. Critical assessment of classical potentials for MgSiO 3 perovskite with application to thermal conductivity calculations Y Chen, A Chernatynskiy, D Brown, PK Schelling, E Artacho and SR Phillpot, Phys. Earth Planet. In. 210-211 75 - 89 (2012)
  31. Multipotent and unipotent progenitors contribute to prostate postnatal development M Ousset, A Van Keymeulen, G Bouvencourt, N Sharma, Y Achouri, BD Simons and C Blanpain, Nat. Cell Biol. 14 1131 - 1138 (2012)
  32. Quantum fluctuations of vortex lattices in ultracold gases MP Kwasigroch and NR Cooper, Phys. Rev. A 86 063618 (2012)
  33. Coupled ferromagnetic and nematic ordering of fermions in an optical flux lattice SK Baur and NR Cooper, Phys. Rev. Lett. 109 (2012)
  34. Mechanical frustration and spontaneous polygonal folding in active nematic sheets CD Modes, M Warner, C Sánchez-Somolinos, LT De Haan and D Broer, Phys. Rev. E 86 060701 (2012)
  35. Electrochemical ferroelectric switching: Origin of polarization reversal in ultrathin films NC Bristowe, M Stengel, PB Littlewood, JM Pruneda and E Artacho, Phys. Rev. B 85 024106 (2012)
  36. QM/MM simulation of liquid water with an adaptive quantum region. N Bernstein, C Várnai, I Solt, SA Winfield, MC Payne, I Simon, M Fuxreiter and G Csányi, Phys. Chem. Chem. Phys. 14 646 - 656 (2012)
  37. Dynamics of nonequilibrium Dicke models MJ Bhaseen, J Mayoh, BD Simons and J Keeling, Phys. Rev. A 85 013817 (2012)
  38. Theory of thermally activated ionization and dissociation of bound states. A Zaccone and EM Terentjev, Phys. Rev. Lett. 108 038302 (2012)
  39. Competing Topological Orders in the nu=12/5 Quantum Hall State P Bonderson, AE Feiguin, G Moller and JK Slingerland, Phys. Rev. Lett. 108 036806 (2012)
  40. Persistence and eventual demise of oxygen molecules at terapascal pressures. J Sun, M Martinez-Canales, DD Klug, CJ Pickard and RJ Needs, Phys. Rev. Lett. 108 045503 (2012)
  41. Correlated phases of bosons in the flat lowest band of the dice lattice. G Möller and NR Cooper, Phys. Rev. Lett. 108 045306 (2012)
  42. Thermodynamically stable phases of carbon at multiterapascal pressures. M Martinez-Canales, CJ Pickard and RJ Needs, Phys. Rev. Lett. 108 045704 (2012)
  43. Responsive nematic solid shells: Topology, compatibility, and shape CD Modes and M Warner, Europhys. Lett. 97 36007 (2012)
  44. Linear-scaling DFT+U with full local orbital optimization DD O'Regan, NDM Hine, MC Payne and AA Mostofi, Phys. Rev. B 85 085107 (2012)
  45. Correlations in liquid water for the TIP3P-Ewald, TIP4P-2005, TIP5P-Ewald, and SWM4-NDP models. DJ Huggins, J. Chem. Phys. 136 064518 (2012)
  46. Rational approaches to improving selectivity in drug design. DJ Huggins, W Sherman and B Tidor, J. Med. Chem. 55 1424 - 1444 (2012)
  47. Strategies for improving the efficiency of quantum Monte Carlo calculations (vol 83, 066706, 2011) RM Lee, GJ Conduit, N Nemec, PL Rios and ND Drummond, Phys. Rev. E 85 029908 (2012)
  48. Theoretical description of the superconducting state of nanostructures at intermediate temperatures: a combined treatment of collective modes and fluctuations. P Ribeiro and AM García-García, Phys. Rev. Lett. 108 097004 (2012)
  49. Testing the universality of the many-body metal-insulator transition by time evolution of a disordered one-dimensional ultracold fermionic gas M Tezuka and AM Garcia-Garcia, Phys. Rev. A 85 031602 (2012)
  50. Mapping the Berry curvature from semiclassical dynamics in optical lattices HM Price and NR Cooper, Phys. Rev. A 85 033620 (2012)
  51. Application of natural bond orbital analysis to linear-scaling density functional theory calculations LP Lee, DJ Cole, MC Payne and C-K Skylaris, Abstr. Pap. Am. Chem. S. 243 (2012)
  52. Enzyme catalysis from linear-scaling DFT: Application to chorismate mutase G Lever, DJ Cole, C-K Skylaris, DJ Wales, KE Ranaghan, AJ Mulholland and MC Payne, Abstr. Pap. Am. Chem. S. 243 (2012)
  53. Biomolecular simulation with the linear-scaling DFT code ONETEP DJ Cole, DD O'Regan, LP Lee, P-L Chau, C-K Skylaris and MC Payne, Abstr. Pap. Am. Chem. S. 243 (2012)
  54. Discrete symmetry breaking transitions between paired superfluids MJ Bhaseen, S Ejima, FHL Essler, H Fehske, M Hohenadler and BD Simons, Phys. Rev. A 85 033636 (2012)
  55. Elasticity of polydomain liquid crystal elastomers JS Biggins, M Warner and K Bhattacharya, J. Mech. Phys. Solids 60 573 - 590 (2012)
  56. Nonlocal conductance reveals helical superconductors B Beri, Phys. Rev. B 85 140501 (2012)
  57. Comment on “Magnetic-Field-Tuned Quantum Phase Transition in the Insulating Regime of Ultrathin Amorphous Bi Films” GJ Conduit and Y Meir, Physical Review Letters 108 159701 (2012)
  58. Proposal of a one-dimensional electron gas in the steps at the LaAlO3-SrTiO3 interface. NC Bristowe, T Fix, MG Blamire, PB Littlewood and E Artacho, Phys. Rev. Lett. 108 166802 (2012)
  59. The nature of the low energy band of the Fenna-Matthews-Olson complex: vibronic signatures. F Caycedo-Soler, AW Chin, J Almeida, SF Huelga and MB Plenio, J. Chem. Phys. 136 155102 (2012)
  60. Power-law decay of the spatial correlation function in exciton-polariton condensates. G Roumpos, M Lohse, WH Nitsche, J Keeling, MH Szymanska, PB Littlewood, A Löffler, S Höfling, L Worschech, A Forchel and Y Yamamoto, P. Natl. Acad. Sci. USA 109 6467 - 6472 (2012)
  61. Diamagnetism and flux creep in bilayer exciton superfluids PR Eastham, NR Cooper and DKK Lee, Phys. Rev. B 85 165320 (2012)
  62. Quantum quenches in disordered systems: approach to thermal equilibrium without a typical relaxation time. E Khatami, M Rigol, A Relaño and AM García-García, Phys. Rev. E 85 050102 (2012)
  63. Crystal structure of ammonia dihydrate II. GI Griffiths, AD Fortes, CJ Pickard and RJ Needs, J. Chem. Phys. 136 174512 (2012)
  64. Numerical time propagation of quantum systems in radiation fields A Alvermann, H Fehske and PB Littlewood, New J. Phys. 14 105008 (2012)
  65. Order parameter fluctuations at a buried quantum critical point. Y Feng, J Wang, R Jaramillo, J van Wezel, S Haravifard, G Srajer, Y Liu, ZA Xu, PB Littlewood and TF Rosenbaum, P. Natl. Acad. Sci. USA 109 7224 - 7229 (2012)
  66. Quantum quenches in disordered systems: Approach to thermal equilibrium without a typical relaxation time E Khatami, M Rigol, A Relano and AM Garcia-Garcia, Phys. Rev. E 85 050102 (2012)
  67. Probing fractional topological insulators with magnetic edge perturbations. B Béri and NR Cooper, Phys. Rev. Lett. 108 206804 (2012)
  68. Probing surface and bulk electrochemical processes on the LaAlO3-SrTiO3 interface. A Kumar, TM Arruda, Y Kim, IN Ivanov, S Jesse, CW Bark, NC Bristowe, E Artacho, PB Littlewood, CB Eom and SV Kalinin, ACS Nano 6 3841 - 3852 (2012)
  69. Nonadiabatic forces in ion-solid interactions: the initial stages of radiation damage. AA Correa, J Kohanoff, E Artacho, D Sánchez-Portal and A Caro, Phys. Rev. Lett. 108 213201 (2012)
  70. Drosophila midgut homeostasis involves neutral competition between symmetrically dividing intestinal stem cells. J de Navascués, CN Perdigoto, Y Bian, MH Schneider, AJ Bardin, A Martínez-Arias and BD Simons, Embo J. 31 2473 - 2485 (2012)
  71. Theory of molecular crowding in Brownian hard-sphere liquids. A Zaccone and EM Terentjev, Phys. Rev. E 85 061202 (2012)
  72. The emergence of protein complexes: quaternary structure, dynamics and allostery. Colworth Medal Lecture. T Perica, JA Marsh, FL Sousa, E Natan, LJ Colwell, SE Ahnert and SA Teichmann, Biochem. Soc. T. 40 475 - 491 (2012)
  73. Electronic stopping power in gold: the role of d electrons and the H/He anomaly. MA Zeb, J Kohanoff, D Sánchez-Portal, A Arnau, JI Juaristi and E Artacho, Phys. Rev. Lett. 108 225504 (2012)
  74. Benchmarking the thermodynamic analysis of water molecules around a model beta sheet. DJ Huggins, J. Comput. Chem. 33 1383 - 1392 (2012)
  75. Vanadium dioxide: a Peierls-Mott insulator stable against disorder. C Weber, DD O'Regan, ND Hine, MC Payne, G Kotliar and PB Littlewood, Phys. Rev. Lett. 108 256402 (2012)
  76. Fractional quantum Hall effect of lattice bosons near commensurate flux. L Hormozi, G Möller and SH Simon, Phys. Rev. Lett. 108 256809 (2012)
  77. Analytical theory of polymer-network-mediated interaction between colloidal particles. L Di Michele, A Zaccone and E Eiser, P. Natl. Acad. Sci. USA 109 10187 - 10192 (2012)
  78. Quantifying Fluctuations from the Tunnelling Differential Conductance AM Garcia-Garcia and P Ribeiro, J. Supercond. and Novel Magnetism 25 1365 - 1367 (2012)
  79. Augmented hybrid exact-diagonalization solver for dynamical mean field theory C Weber, A Amaricci, M Capone and PB Littlewood, Phys. Rev. B 86 115136 (2012)
  80. Strongly correlated electron systems. SS Saxena and PB Littlewood, J. Phys. - Condens. Mat. 24 290301 (2012)
  81. Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. MK Parai, DJ Huggins, H Cao, MN Nalam, A Ali, CA Schiffer, B Tidor and TM Rana, J. Med. Chem. 55 6328 - 6341 (2012)
  82. Adiabatic state preparation of interacting two-level systems. RT Brierley, C Creatore, PB Littlewood and PR Eastham, Phys. Rev. Lett. 109 043002 (2012)
  83. Mechanical and optical bending of nematic elastomer cantilevers. M Warner, Phys. Rev. E 86 022701 (2012)
  84. Molecular and electronic structure of the peptide subunit of Geobacter sulfurreducens conductive pili from first principles. GT Feliciano, AJ da Silva, G Reguera and E Artacho, J. Phys. Chem. A 116 8023 - 8030 (2012)
  85. Coherence and decoherence in biological systems: principles of noise-assisted transport and the origin of long-lived coherences. AW Chin, SF Huelga and MB Plenio, Phil. Trans. Royal Soc. A 370 3638 - 3657 (2012)
  86. Plasmon mode modifies the elastic response of a nanoscale charge density wave system S Sengupta, N Samudrala, V Singh, A Thamizhavel, PB Littlewood, V Tripathi and MM Deshmukh, Physical Review Letters 110 166403 (2012)
  87. Framework for constructing generic Jastrow correlation factors. P López Ríos, P Seth, ND Drummond and RJ Needs, Phys. Rev. E 86 036703 (2012)
  88. How variable clones build an invariant retina. J He, G Zhang, AD Almeida, M Cayouette, BD Simons and WA Harris, Neuron 75 786 - 798 (2012)
  89. Cold fusion: Fleischmann denied due credit. BD Josephson, Nature 490 37 (2012)
  90. High-polarization limit of the quasi-two-dimensional Fermi gas J Levinsen and SK Baur, Phys. Rev. A 86 041602 (2012)
  91. Topological Kondo effect with Majorana fermions. B Béri and NR Cooper, Phys. Rev. Lett. 109 156803 (2012)
  92. Particle entanglement spectra for quantum Hall states on lattices A Sterdyniak, N Regnault and G Moeller, Phys. Rev. B 86 165314 (2012)
  93. Theory of photoferroelectric response in SmC* liquids. M Knežević and M Warner, J. Chem. Phys. 137 144902 (2012)
  94. Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules. DJ Huggins, Phys. Chem. Chem. Phys. 14 15106 - 15117 (2012)
  95. Designing topological bands in reciprocal space. NR Cooper and R Moessner, Phys. Rev. Lett. 109 215302 (2012)
  96. Superconductivity in ultrathin films and nanoscale systems A Bianconi, S Bose and AM Garcia-Garcia, Superconductor Science and Technology 25 120301 (2012)
  97. Quantum metrology in non-Markovian environments. AW Chin, SF Huelga and MB Plenio, Phys. Rev. Lett. 109 233601 (2012)
  98. Adiabatic continuation of fractional Chern insulators to fractional quantum Hall States. T Scaffidi and G Möller, Phys. Rev. Lett. 109 246805 (2012)
  99. Coupled ferromagnetic and nematic ordering of fermions in an optical flux lattice. SK Baur and NR Cooper, Phys. Rev. Lett. 109 265301 (2012)