All Stories

  1. Programming patchy particles to form three-dimensional dodecagonal quasicrystals
  2. Programming patchy particles to form complex periodic structures
  3. Incorporating particle flexibility in a density functional description of nematics and cholesterics
  4. Coarse-grained modelling of supercoiled RNA
  5. Introducing improved structural properties and salt dependence into a coarse-grained model of DNA
  6. DNA hairpins destabilize duplexes primarily by promoting melting rather than by inhibiting hybridization
  7. Characterizing the bending and flexibility induced by bulges in DNA duplexes
  8. Modelling Toehold-Mediated RNA Strand Displacement
  9. Plectoneme tip bubbles: Coupled denaturation and writhing in supercoiled DNA
  10. CO oxidation catalysed by Pd-based bimetallic nanoalloys
  11. Ni-based nanoalloys: Towards thermally stable highly magnetic materials
  12. The Role of Loop Stacking in the Dynamics of DNA Hairpin Formation
  13. Note: Heterogeneous ice nucleation on silver-iodide-like surfaces
  14. Effects of surface interactions on heterogeneous ice nucleation for a monatomic water model
  15. A nucleotide-level coarse-grained model of RNA
  16. On the biophysics and kinetics of toehold-mediated DNA strand displacement
  17. Note: Homogeneous TIP4P/2005 ice nucleation at low supercooling
  18. Simulating a burnt-bridges DNA motor with a coarse-grained DNA model
  19. DNA hybridization kinetics: zippering, internal displacement and sequence dependence
  20. Computing Phase Diagrams for a Quasicrystal-Forming Patchy-Particle System
  21. Optimizing DNA Nanotechnology through Coarse-Grained Modeling: A Two-Footed DNA Walker
  22. Coarse-grained simulations of DNA overstretching
  23. Coarse-graining DNA for simulations of DNA nanotechnology
  24. Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water
  25. Sequence-dependent thermodynamics of a coarse-grained DNA model
  26. DNA Cruciform Arms Nucleate through a Correlated but Asynchronous Cooperative Mechanism
  27. The effect of topology on the structure and free energy landscape of DNA kissing complexes
  28. Formation of dodecagonal quasicrystals in two-dimensional systems of patchy particles
  29. Free energy landscapes for homogeneous nucleation of ice for a monatomic water model
  30. Energy landscapes of colloidal clusters: thermodynamics and rearrangement mechanisms
  31. Evolutionary dynamics in a simple model of self-assembly
  32. Re-entrant phase behavior for systems with competition between phase separation and self-assembly
  33. Structural, mechanical, and thermodynamic properties of a coarse-grained DNA model
  34. Templated self-assembly of patchy particles
  35. The effect of scale-free topology on the robustness and evolvability of genetic regulatory networks
  36. Self-assembly, modularity, and physical complexity
  37. The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry
  38. DNA Nanotweezers Studied with a Coarse-Grained Model of DNA
  39. Extracting bulk properties of self-assembling systems from small simulations
  40. Modelling the self-assembly of virus capsids
  41. Monodisperse self-assembly in a model with protein-like interactions
  42. Self-assembly of monodisperse clusters: Dependence on target geometry
  43. Self-Assembly and Evolution of Homomeric Protein Complexes
  44. The self-assembly of DNA Holliday junctions studied with a minimal model
  45. Comment on “Critical analysis of negative heat capacities in nanoclusters” by Michaelian K. and Santamaría-Holek I.
  46. Preferential attachment during the evolution of a potential energy landscape
  47. Reversible self-assembly of patchy particles into monodisperse icosahedral clusters
  48. Exploring the origins of the power-law properties of energy landscapes: An egg-box model
  49. Phase diagram of model anisotropic particles with octahedral symmetry
  50. Geometric magic numbers of sodium clusters: Interpretation of the melting behaviour
  51. A self-consistent approach to measure preferential attachment in networks and its application to an inherent structure network
  52. Power-law distributions for the areas of the basins of attraction on a potential energy landscape
  53. Controlling crystallization and its absence: proteins, colloids and patchy models
  54. Protein crystallization in vivo
  55. Theoretical study of the melting of aluminum clusters
  56. Structural transitions in the 309-atom magic number Lennard-Jones cluster
  57. Lead clusters: Different potentials, different structures
  58. ENERGY LANDSCAPES, SCALE-FREE NETWORKS AND APOLLONIAN PACKINGS
  59. Mapping the Magic Numbers in Binary Lennard-Jones Clusters
  60. Identifying communities within energy landscapes
  61. Characterizing the network topology of the energy landscapes of atomic clusters
  62. Self-similar disk packings as model spatial scale-free networks
  63. Global Optimization of Morse Clusters by Potential Energy Transformations
  64. Pressure effects on the structure of nanoclusters
  65. Inhibition of protein crystallization by evolutionary negative design
  66. Stationary points and dynamics in high-dimensional systems
  67. Comment on “Strontium clusters: Many-body potential, energetics, and structural transitions” [J. Chem. Phys. 115, 3640 (2001)]
  68. Identifying structural patterns in disordered metal clusters
  69. A model metal potential exhibiting polytetrahedral clusters
  70. Adsorption and diffusion on nanoclusters of C60 molecules
  71. Comment on “Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids” [J. Chem. Phys. 116, 10297 (2002)]
  72. The favored cluster structures of model glass formers
  73. On the structure of small lead clusters
  74. Surface-reconstructed icosahedral structures for lead clusters
  75. Equilibrium properties of clusters in the harmonic superposition approximation
  76. Network Topology of a Potential Energy Landscape: A Static Scale-Free Network
  77. Entropic effects on the structure of Lennard-Jones clusters
  78. Saddle points and dynamics of Lennard-Jones clusters, solids, and supercooled liquids
  79. Collapse of Lennard-Jones homopolymers: Size effects and energy landscapes
  80. Evidence of Kinetic Trapping in Clusters of C 60 Molecules
  81. Characterization of anharmonicities on complex potential energy surfaces: Perturbation theory and simulation
  82. Modeling the structure of clusters ofC60molecules
  83. Comment on “Effect of Potential Energy Distribution on the Melting of Clusters”
  84. Polytetrahedral Clusters
  85. Dynamics and thermodynamics of supercooled liquids and glasses from a model energy landscape
  86. Entropic Effects on the Size Dependence of Cluster Structure
  87. Global optimization and the energy landscapes of Dzugutov clusters
  88. Entropic tempering: A method for overcoming quasiergodicity in simulation
  89. Effect of compression on the global optimization of atomic clusters
  90. Computer simulations of the mechanism of thickness selection in polymer crystals
  91. The effect of temperature jumps during polymer crystallization
  92. Energy Landscapes: From Clusters to Biomolecules
  93. The dynamics of structural transitions in sodium chloride clusters
  94. Tetrahedral global minimum for the 98-atom Lennard-Jones cluster
  95. Evolution of the potential energy surface with size for Lennard-Jones clusters
  96. Structural relaxation in atomic clusters: Master equation dynamics
  97. The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
  98. The mechanism of thickness selection in the Sadler-Gilmer model of polymer crystallization
  99. Kinetic Monte Carlo simulations of the growth of polymer crystals
  100. Structural transitions and global minima of sodium chloride clusters
  101. Structural relaxation in Morse clusters: Energy landscapes
  102. Crystallization of a polymer on a surface
  103. Thermodynamics and the global optimization of Lennard-Jones clusters
  104. Mechanism of Thickness Determination in Polymer Crystals
  105. Thermodynamics of Global Optimization
  106. The effect of chain stiffness on the phase behaviour of isolated homopolymers
  107. Global minima for transition metal clusters described by Sutton–Chen potentials
  108. Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
  109. Structural predictions for (C60)N clusters with an all-atom potential
  110. Comment on “Relaxation of collective excitations in LJ-13 cluster” [J. Chem. Phys. 105, 3679 (1996)]
  111. Thermally-induced surface reconstructions of Mackay icosahedra
  112. Surveying a potential energy surface by eigenvector-following
  113. Structural consequences of the range of the interatomic potential A menagerie of clusters
  114. Surveying a potential energy surface by eigenvector-following
  115. Thermally-induced surface reconstructions of Mackay icosahedra
  116. The effect of the range of the potential on the structure and stability of simple liquids: from clusters to bulk, from sodium to
  117. On potential energy surfaces and relaxation to the global minimum
  118. The structure of (C60)N clusters
  119. The Structure and Stability of Atomic Liquids: From Clusters to Bulk
  120. Theoretical Predictions of Structure and Thermodynamics in the Large Cluster Regime
  121. What can calculations employing empirical potentials teach us about bare transition-metal clusters?
  122. Magic numbers and growth sequences of small face-centred-cubic and decahedral clusters
  123. Magic numbers and growth sequences of small face-centered-cubic and decahedral clusters
  124. The effect of the range of the potential on the structures of clusters
  125. Coexistence and phase separation in clusters: From the small to the not-so-small regime
  126. An order parameter approach to coexistence in atomic clusters
  127. Calculation of thermodynamic properties of small Lennard-Jones clusters incorporating anharmonicity
  128. Systematic investigation of the structures and rearrangements of six-atom clusters bound by a model anisotropic potential
  129. Physical Perspectives on the Global Optimization of Atomic Clusters