TCM
UoC crest

Publications 2014

  1. A tractable genotype-phenotype map modelling the self-assembly of protein quaternary structure. SF Greenbury, IG Johnston, AA Louis and SE Ahnert, J. Roy. Soc. Interface 11 20140249 (2014)
  2. Computational analysis of liquid crystalline elastomer membranes: Changing Gaussian curvature without stretch energy F Cirak, Q Long, K Bhattacharya and M Warner, Int. J. Solids Struct. 51 144 - 153 (2014)
  3. Compression algorithm for multideterminant wave functions GL Weerasinghe, PL Ríos and RJ Needs, Phys. Rev. E 89 023304 (2014)
  4. Dynamics of a two-dimensional quantum spin liquid: Signatures of emergent majorana fermions and fluxes J Knolle, DL Kovrizhin, JT Chalker and R Moessner, Phys. Rev. Lett. 112 207203 (2014)
  5. Revealing lithium-silicide phase transformations in nano-structured silicon-based lithium ion batteries via in situ NMR spectroscopy. K Ogata, E Salager, CJ Kerr, AE Fraser, C Ducati, AJ Morris, S Hofmann and CP Grey, Nature Comm. 5 3217 (2014)
  6. Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimation DJ Huggins, J. Comput. Chem. 35 377 - 385 (2014)
  7. Dynamic optical superlattices with topological bands SK Baur, MH Schleier-Smith and NR Cooper, Phys. Rev. A 89 051605 (2014)
  8. Understanding the chain fountain JS Biggins and M Warner, Proc. Royal Soc. A - Math. Phy. 470 20130689 (2014)
  9. OptaDOS: A tool for obtaining density of states, core-level and optical spectra from electronic structure codes AJ Morris, RJ Nicholls, CJ Pickard and JR Yates, Comput. Phys. Commun. (2014)
  10. Generalised power graph compression reveals dominant relationship patterns in complex networks. SE Ahnert, Scientific Reports 4 4385 (2014)
  11. Stabilizing spin coherence through environmental entanglement in strongly dissipative quantum systems S Bera, S Florens, HU Baranger, N Roch, A Nazir and AW Chin, Phys. Rev. B 89 121108 (2014)
  12. Growth and shape of a chain fountain JS Biggins, Europhys. Lett. 106 4 (2014)
  13. Experimental and theoretical evidence for an ionic crystal of ammonia at high pressure S Ninet, F Datchi, P Dumas, M Mezouar, G Garbarino, A Mafety, CJ Pickard, RJ Needs and AM Saitta, Phys. Rev. B 89 174103 (2014)
  14. A Community Under Attack: Protestant Letter Networks in the Reign of Mary I R Ahnert and SE Ahnert, Leonardo 47 275 (2014)
  15. Comparing electron-phonon coupling strength in diamond, silicon, and silicon carbide: First-principles study B Monserrat and RJ Needs, Phys. Rev. B 89 214304 (2014)
  16. Limited predictive value of blastomere angle of division in trophectoderm and inner cell mass specification T Watanabe, JS Biggins, NB Tannan and S Srinivas, Development 141 2279 - 2288 (2014)
  17. Mapping functional groups on oxidised multiwalled carbon nanotubes at the nanometre scale AE Goode, NDM Hine, S Chen, SD Bergin, MSP Shaffer, MP Ryan, PD Haynes, AE Porter and DW McComb, Chemical Communications 50 6744 - 6747 (2014)
  18. Social network analysis predicts health behaviours and self-reported health in African villages. GF Chami, SE Ahnert, MJ Voors and AA Kontoleon, PLOS ONE 9 e103500 (2014)
  19. Ultrafast long-range charge separation in organic semiconductor photovoltaic diodes S Gelinas, A Rao, A Kumar, SL Smith, AW Chin, J Clark, TS Van Der Poll, GC Bazan and RH Friend, Optics InfoBase Conference Papers (2014)
  20. Estimating translational and orientational entropies using the K -nearest neighbors algorithm DJ Huggins, J. Chem. Theory Comput. 10 3617 - 3625 (2014)
  21. Ranking competitors using degree-neutralized random walks. S Shin, SE Ahnert and J Park, PLoS One 9 e113685 (2014)
  22. Biased competition between Lgr5 intestinal stem cells driven by oncogenic mutation induces clonal expansion. HJ Snippert, AG Schepers, JH van Es, BD Simons and H Clevers, Embo Rep. 15 62 - 69 (2014)
  23. Early lineage restriction in temporally distinct populations of Mesp1 progenitors during mammalian heart development F Lescroart et al., Nat. Cell Biol. 16 829 - 840 (2014)
  24. Vibrational coherence reveals the role of dark multiexciton states in ultrafast singlet exciton fission AA Bakulin Artem A, SE Morgan, J Alster, D Egorova, A Chin, D Zigmantas and A Rao, Proc. Phys. 162 226 - 229 (2014)
  25. Tunable nonequilibrium dynamics of field quenches in spin ice. S Mostame, C Castelnovo, R Moessner and SL Sondhi, P. Natl. Acad. Sci. USA 111 640 - 645 (2014)
  26. Shape resonances and shell effects in thin-film multiband superconductors A Romero-Bermudez and AM Garcia-Garcia, Phys. Rev. B 89 024510 (2014)
  27. Evolutionary Excursions in Quaternary Structure Space JA Marsh, SE Ahnert and SA Teichmann, Biophys. J. 106 685A (2014)
  28. Anomalous nonadditive dispersion interactions in systems of three one-dimensional wires AJ Misquitta, R Maezono, ND Drummond, AJ Stone and RJ Needs, Phys. Rev. B 89 045140 (2014)
  29. Ultrafast long-range charge separation in organic semiconductor photovoltaic diodes. S Gélinas, A Rao, A Kumar, SL Smith, AW Chin, J Clark, TS van der Poll, GC Bazan and RH Friend, Science 343 512 - 516 (2014)
  30. Conductance fingerprint of Majorana fermions in the topological Kondo effect MR Galpin, AK Mitchell, J Temaismithi, DE Logan, B Beri and NR Cooper, Phys. Rev. B 89 045143 (2014)
  31. Electron-phonon coupling and the metallization of solid helium at terapascal pressures. B Monserrat, ND Drummond, CJ Pickard and RJ Needs, Phys. Rev. Lett. 112 055504 (2014)
  32. Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimation. DJ Huggins, J. Comput. Chem. 35 377 - 385 (2014)
  33. Size effects in superconducting thin films coupled to a substrate A Romero-Bermudez and AM Garcia-Garcia, Phys. Rev. B 89 064508 (2014)
  34. Thermodynamically stable lithium silicides and germanides from density-functional theory calculations AJ Morris, CP Grey and CJ Pickard, Phys. Rev. B 90 (2014)
  35. Point Defects and Non-stoichiometry in Li2TiO3 ST Murphy and NDM Hine, Chem. Mater. 26 1629 - 1638 (2014)
  36. Interplay of classical and quantum capacitance in a one-dimensional array of Josephson junctions P Ribeiro and AM Garcia-Garcia, Phys. Rev. B 89 064513 (2014)
  37. Abstract 145: human keratinocytes have two distinct cell proliferation patterns on timelapse imaging in vitro with 8-cell microarrays revealing early molecular identifiers. A Roshan, BD Simons, K Murai and PH Jones, Plast Reconstr Surg 133 160 - 161 (2014)
  38. Mappings of open quantum systems onto chain representations and Markovian embeddings MP Woods, R Groux, AW Chin, SF Huelga and MB Plenio, J. Math. Phys. 55 032101 (2014)
  39. The human squamous oesophagus has widespread capacity for clonal expansion from cells at diverse stages of differentiation. M Barbera, M di Pietro, E Walker, C Brierley, S Macrae, BD Simons, PH Jones, J Stingl and RC Fitzgerald, Gut (2014)
  40. Consciousness and the Physical World BD Josephson et al., (2014)
  41. Intestinal crypt homeostasis revealed at single-stem-cell level by in vivo live imaging. L Ritsma, SI Ellenbroek, A Zomer, HJ Snippert, FJ de Sauvage, BD Simons, H Clevers and J van Rheenen, Nature 507 362 - 365 (2014)
  42. Quantum Monte Carlo and high-level ab initio molecular orbital investigation of dissociation channels of the positronic alkali-metal hydrides, [XH;e(+)] (X = Li, Na, and K) Y Yamada, Y Kita, M Tachikawa, MD Towler and RJ Needs, Eur. Phys. J. D 68 63 (2014)
  43. Impact of intracellular domain flexibility upon properties of activated human 5-HT3 receptors. JL Kozuska, IM Paulsen, WJ Belfield, IL Martin, DJ Cole, A Holt and SM Dunn, Br. J. Pharmacol. 171 1617 - 1628 (2014)
  44. Impact of intracellular domain flexibility upon properties of activated human 5-HT<inf>3</inf> receptors JL Kozuska, IM Paulsen, WJ Belfield, IL Martin, DJ Cole, A Holt and SMJ Dunn, Br. J. Pharmacol. 171 1617 - 1628 (2014)
  45. The origin of two-dimensional electron gases at oxide interfaces: insights from theory. NC Bristowe, P Ghosez, PB Littlewood and E Artacho, J. Phys. - Condens. Mat. 26 143201 (2014)
  46. Fermionic superradiance in a transversely pumped optical cavity. J Keeling, MJ Bhaseen and BD Simons, Phys. Rev. Lett. 112 143002 (2014)
  47. Range expansion of heterogeneous populations. M Reiter, S Rulands and E Frey, Phys. Rev. Lett. 112 148103 (2014)
  48. Range expansion of heterogeneous populations M Reiter, S Rulands and E Frey, Phys. Rev. Lett. 112 (2014)
  49. Vacancy defects and monopole dynamics in oxygen-deficient pyrochlores. G Sala, MJ Gutmann, D Prabhakaran, D Pomaranski, C Mitchelitis, JB Kycia, DG Porter, C Castelnovo and JP Goff, Nat Mater (2014)
  50. Renormalization of myoglobin-ligand binding energetics by quantum many-body effects. C Weber, DJ Cole, DD O'Regan and MC Payne, P. Natl. Acad. Sci. USA 111 5790 - 5795 (2014)
  51. Dissociation of high-pressure solid molecular hydrogen: a quantum monte carlo and anharmonic vibrational study. S Azadi, B Monserrat, WM Foulkes and RJ Needs, Phys. Rev. Lett. 112 165501 (2014)
  52. Distilling topological entropy from a single measurement of entanglement on projected systems C Castelnovo, Phys. Rev. A 89 042333 (2014)
  53. Alloys based on Cr-Cr2Ta containing Si A Bhowmik, RJ Bennett, B Monserrat, GJ Conduit, LD Connor, JE Parker, RP Thompson, CN Jones and HJ Stone, Intermetallics 48 62 - 70 (2014)
  54. Live imaging of human keratinocytes reveals two modes of cell proliferation A Roshan, BD Simons, K Murai and PH Jones, British Journal of Surgery 101 5 (2014)
  55. Mouse Spermatogenic Stem Cells Continually Interconvert between Equipotent Singly Isolated and Syncytial States. K Hara, T Nakagawa, H Enomoto, M Suzuki, M Yamamoto, BD Simons and S Yoshida, Cell Stem Cell 14 658 - 672 (2014)
  56. Differentiation imbalance in single oesophageal progenitor cells causes clonal immortalization and field change. MP Alcolea, P Greulich, A Wabik, J Frede, BD Simons and PH Jones, Nat. Cell Biol. (2014)
  57. Comparison of smooth hartree-fock pseudopotentials JR Trail and RJ Needs, J. Chem. Theory Comput. 10 2049 - 2053 (2014)
  58. Excitations and benchmark ensemble density functional theory for two electrons. A Pribram-Jones, ZH Yang, JR Trail, K Burke, RJ Needs and CA Ullrich, J. Chem. Phys. 140 18A541 (2014)
  59. Normal modes and time evolution of a holographic superconductor after a quantum quench X Gao, AM Garcia-Garcia, HB Zeng and H-Q Zhang, J. High Energy Phys. 2014 019 (2014)
  60. Ultrafast charge separation and nongeminate electron-hole recombination in organic photovoltaics. SL Smith and AW Chin, Phys. Chem. Chem. Phys. (2014)
  61. Improving the conductance of carbon nanotube networks through resonant momentum exchange RA Bell, MC Payne and AA Mostofi, Phys. Rev. B 89 245426 (2014)
  62. Dissipation in a simple model of a topological josephson junction. P Matthews, P Ribeiro and AM García-García, Phys Rev Lett 112 247001 (2014)
  63. Constrained geometric simulation of the nicotinic acetylcholine receptor. WJ Belfield, DJ Cole, IL Martin, MC Payne and PL Chau, J. Mol. Graph. Model. 52 1 - 10 (2014)
  64. Fluid driven fingering instability of a confined elastic meniscus JS Biggins, Z Wei and L Mahadevan, Europhys. Lett. 110 34001 (2014)
  65. High-pressure physics: Piling on the pressure. CJ Pickard and RJ Needs, Nature 511 294 - 295 (2014)
  66. A thermal quench induces spatial inhomogeneities in a holographic superconductor AM Garcia-Garcia, HB Zeng and H-Q Zhang, J. High Energy Phys. 2014 096 (2014)
  67. Majorana modes and p-wave superfluids for fermionic atoms in optical lattices A Bühler, N Lang, CV Kraus, G Möller, SD Huber and HP Büchler, Nature Communications 5 4504 (2014)
  68. Neutral competition of stem cells is skewed by proliferative changes downstream of Hh and Hpo. M Amoyel, BD Simons and EA Bach, Embo J. (2014)
  69. Generalized multipolaron expansion for the spin-boson model: Environmental entanglement and the biased two-state system S Bera, A Nazir, AW Chin, HU Baranger and S Florens, Phys. Rev. B 90 075110 (2014)
  70. Improved estimations of hydration entropies using the k-nearest neighbours algorithm DJ Huggins, Abstr. Pap. Am. Chem. S. 248 (2014)
  71. Quantification of crypt and stem cell evolution in the normal and neoplastic human colon. AM Baker et al., Cell Rep. 8 940 - 947 (2014)
  72. Bose-Einstein condensation and many-body localization of rotational excitations of polar molecules following a microwave pulse MP Kwasigroch and NR Cooper, Phys. Rev. A 90 021605 (2014)
  73. Exclusive multipotency and preferential asymmetric divisions in post-embryonic neural stem cells of the fish retina. L Centanin et al., Development 141 3472 - 3482 (2014)
  74. Early lineage restriction in temporally distinct populations of Mesp1 progenitors during mammalian heart development. F Lescroart et al., Nat. Cell Biol. 16 829 - 840 (2014)
  75. Gyrification from constrained cortical expansion. T Tallinen, JY Chung, JS Biggins and L Mahadevan, P. Natl. Acad. Sci. USA 111 12667 - 12672 (2014)
  76. Specialization and bet hedging in heterogeneous populations. S Rulands, D Jahn and E Frey, Phys. Rev. Lett. 113 108102 (2014)
  77. Quench dynamics of a disordered array of dissipative coupled cavities. C Creatore, R Fazio, J Keeling and HE Türeci, Proc. Royal Soc. A - Math. Phy. 470 20140328 (2014)
  78. High-fidelity pseudopotentials for the contact interaction PO Bugnion, P López Ríos, RJ Needs and GJ Conduit, Phys. Rev. A 90 033626 (2014)
  79. Exact and approximate Kohn-Sham potentials in ensemble density-functional theory Z-H Yang, JR Trail, A Pribram-Jones, K Burke, RJ Needs and CA Ullrich, Phys. Rev. A 90 042501 (2014)
  80. Erratum: Finite-size errors in continuum quantum Monte Carlo calculations (Physical Review B - Condensed Matter and Materials Physics (2008) 78 (125106)) ND Drummond, RJ Needs, A Sorouri and WMC Foulkes, Phys. Rev. B 90 (2014)
  81. Temperature effects in first-principles solid state calculations of the chemical shielding tensor made simple. B Monserrat, RJ Needs and CJ Pickard, J. Chem. Phys. 141 134113 (2014)
  82. Strong enhancement of bulk superconductivity by engineered nanogranularity J Mayoh and AM Garcia-Garcia, Phys. Rev. B 90 134513 (2014)
  83. Electronic transport calculations in the onetep code: Implementation and applications RA Bell, SM-M Dubois, MC Payne and AA Mostofi, Comput. Phys. Commun. 193 78 - 88 (2014)
  84. Does water dope carbon nanotubes? RA Bell, MC Payne and AA Mostofi, J Chem Phys 141 164703 (2014)
  85. Species fractionation in atomic chains from mechanically stretched alloys P Alves Da Silva Autreto, DS Galvao and E Artacho, J. Phys. - Condens. Mat. 26 435304 (2014)
  86. Optomechanical Conversion by Mechanical Turbines M Knezevic and M Warner, Phys. Rev. Appl. 2 044017 (2014)
  87. Raman scattering signatures of Kitaev spin liquids in A(2)IrO(3) iridates with A=Na or Li. J Knolle, GW Chern, DL Kovrizhin, R Moessner and NB Perkins, Phys. Rev. Lett. 113 187201 (2014)
  88. Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils KA Wilkinson, NDM Hine and C-K Skylaris, J. Chem. Theory Comput. 10 4782 - 4794 (2014)
  89. Determinants of mortality among older adults with pressure ulcers. HM Khor, J Tan, NI Saedon, SB Kamaruzzaman, AV Chin, PJ Poi and MP Tan, Arch Gerontol Geriatr 59 536 - 541 (2014)
  90. Deterministic progenitor behavior and unitary production of neurons in the neocortex. P Gao et al., Cell 159 775 - 788 (2014)
  91. Large-Scale Density Functional Theory Transition State Searching in Enzymes G Lever, DJ Cole, R Lonsdale, KE Ranaghan, DJ Wales, AJ Mulholland, C-K Skylaris and MC Payne, J. Phys. Chem. Lett. 5 3614 - 3619 (2014)
  92. Ab Initio Structure Search and in Situ (7)Li NMR Studies of Discharge Products in the Li-S Battery System. KA See et al., J. Am. Chem. Soc. 136 16368 - 16377 (2014)
  93. Extracting semiconductor band gap zero-point corrections from experimental data B Monserrat, GJ Conduit and RJ Needs, Phys. Rev. B 90 184302 (2014)
  94. Destruction of long-range order by quenching of the hopping range in one dimension M Tezuka, AM Garcia-Garcia and MA Cazalilla, Phys. Rev. A 90 053618 (2014)
  95. Constrained geometric dynamics of the Fenna-Matthews-Olson complex: the role of correlated motion in reducing uncertainty in excitation energy transfer. AS Fokas, DJ Cole and AW Chin, Photosynth Res 122 275 - 292 (2014)
  96. Expanding the Scope of Density Derived Electrostatic and Chemical Charge Partitioning to Thousands of Atoms LP Lee, NG Limas, DJ Cole, MC Payne, C-K Skylaris and TA Manz, J. Chem. Theory Comput. 10 5377 - 5390 (2014)
  97. Exactly isochoric deformations of soft solids JS Biggins, Z Wei and L Mahadevan, Europhys. Lett. 108 64001 (2014)
  98. Josephson-coupled Moore-Read states G Möller, L Hormozi, J Slingerland and SH Simon, Phys. Rev. B 90 235101 (2014)
  99. Constrained geometric dynamics of the Fenna-Matthews-Olson complex: the role of correlated motion in reducing uncertainty in excitation energy transfer AS Fokas, DJ Cole and AW Chin, Photosynthesis research 122 275 - 292 (2014)
  100. Fine structure of the phonon in one dimension from quantum hydrodynamics T Price and A Lamacraft, Phys. Rev. B 90 241415 (2014)
  101. An Arabidopsis gene regulatory network for secondary cell wall synthesis. M Taylor-Teeples et al., Nature (2014)