All Stories

  1. Short‐Range Atomic Topology of Ab Initio Generated Amorphous PdSi Alloys
  2. Superconductivity Versus Magnetism in the Amorphous Palladium “Ides”: Pd1−c(H/D/T)c
  3. Ab initio studies of magnetism and topology in solid Pd-rich $${\varvec{a}}$$-PdSi alloys
  4. Correlation: An Analysis Tool for Liquids and for Amorphous Solids
  5. Amorphous palladium displays ferromagnetism due to structural defects
  6. A facile approach to calculating superconducting transition temperatures in the bismuth solid phases
  7. Ab initio Study of the Amorphous Cu-Bi System
  8. Possible superconductivity in the Bismuth IV solid phase under pressure
  9. Predicting Superconductivity in Bismuth Layers
  10. Compressed Crystalline Bismuth and Superconductivity — An ab initio computational Simulation
  11. Superconductivity in Bismuth. A New Look at an Old Problem
  12. Short-range order in ab initio computer generated amorphous and liquid Cu–Zr alloys: A new approach
  13. First-principles calculation of the electronic and topological properties of crystalline and amorphous AlxGa1−xN
  14. Electronic and vibrational densities of states of ab initio generated nanoporous carbons
  15. Amorphous Bismuth: Structure-Property Relations and the Size of the Supercell
  16. Structural and Electronic Properties of Cu64Zr36 BMG by ab initio Molecular Dynamics
  17. Exploring the surface reactivity of Ag nanoparticles with antimicrobial activity: A DFT study
  18. Computational alternatives to generate amorphous nanoporous structures using ab initio molecular dynamics
  19. New Approaches to the Computer Simulation of Amorphous Alloys: A Review
  20. An ab initio molecular dynamics calculation of the density of the liquid metallic alloy Al–Si12at% as a function of temperature
  21. Structural properties of amorphous selenium: An ab initio molecular-dynamics simulation
  22. A New Approach to the Computer Modeling of Amorphous Nanoporous Structures of Semiconducting and Metallic Materials: A Review
  23. Atomic structure and diffusion in Cu60Zr40 metallic liquid and glass: molecular dynamics simulations
  24. Exploring the Surface Reactivity of 3d Metal Endofullerenes: A Density-Functional Theory Study
  25. Are Slit Pores in Carbonaceus Materials Real?
  26. Could Porosity Induce Gaps in the Vibrational Density of States of Nanoporous Silicon?
  27. DFT calculations of the structure and electronic properties of late 3d transition metal atoms endohedrally doping C60
  28. Simulating the structure of amorphous Si0.5C0.5 using Lin–Harris molecular dynamics
  29. Crystalline and amorphous nanostructures in porous silicon
  30. Ab initio Computationally Generated Nanoporous Carbon and its Comparison to Experiment
  31. Structural and Vibrational Studies of Nanoporous Silicon. A Novel Approach Using the Tersoff Interatomic Potential
  32. Generating amorphous and liquid aluminum: A new approach
  33. Hydrogen adsorbed in ab initio computationally simulated nanoporous carbon. An energetics study
  34. Studies of the phonon density of states in ab initio generated amorphous structures of pure silicon
  35. The energetics of hydrogen adsorbed in nanoporous carbon: A simulational study
  36. Bonding in amorphous carbon-nitrogen alloys: A first principles study
  37. The Energetics of Hydrogen Adsorbed in Nanoporous Silicon. An ab initio Simulational Study
  38. Computer Modeling of Nanoporous Materials: An ab initio Novel Approach for Silicon and Carbon
  39. Atomic topology and optical properties of amorphous porous silicon, ap-Si
  40. Amorphizing non-cubic structures of carbon. The case of rhombohedral and hexagonal crystalline supercells
  41. Amorphous alloys of C0.5Si0.5, Si0.5Ge0.5 and In0.5Se0.5: atomic topology
  42. Structural properties of amorphous aluminum and aluminum-nitrogen alloys. Computer simulations
  43. First-principles simulations of atomic networks and optical properties of amorphousSiN
  44. Atomic topology and radial distribution functions of a-SiNx alloys: ab initio simulations
  45. Ab initio generation of amorphous semiconducting structures. The case of a-Si
  46. Radial distribution functions ofab initiogenerated amorphous covalent networks
  47. Ab initio generation of amorphous carbon structures
  48. Optical gaps of ab initio generated random networks for a-SiNx alloys
  49. Bose–Einstein condensation of nonzero-center-of-mass-momentum Cooper pairs
  50. Ab initio studies of the atomic and electronic structure of pure and hydrogenated a-Si
  51. Linear to quadratic crossover of Cooper-pair dispersion relation
  52. Cooper pair dispersion relation in two dimensions
  53. Superconductivity as a Bose-Einstein condensation?
  54. Cooper pair dispersion relation for weak to strong coupling
  55. Optical properties of tetrahedral amorphous carbon nitride
  56. Influence of 5-atom rings on the optical properties of amorphous carbon nitride
  57. Ab initio cluster simulation of N-doped tetrahedral amorphous carbon
  58. The electronic structure of a-SiGe alloys: a cluster simulation
  59. The energy gap in a-Si1 − xCg: H alloys
  60. Theoretical simulation of the topochemical polymerization of some diacetylene molecules
  61. T F -Scaled superconductivity in a fermion-quasiboson mixture with Bose-Einstein condensation
  62. Amorphous clusters: the electronic structure of Ge clusters with B and Al impurities
  63. Amorphous clusters. III. The electronic structure of Si clusters with B and Al impurities
  64. Amorphous clusters I. Electronic structure of Si clusters with N, P and As dopants
  65. Amorphous clusters. II. Electronic structure of Ge clusters with N, P, and As impurities
  66. The free‐electron gas in n dimensions
  67. Concerning the addition of parallel velocities in the special theory of relativity
  68. The San Luis project: An attempt to decentralize physics in Mexico
  69. The Debye model in n dimensions
  70. Formation and growth of F-centers in Cd-doped NaCl crystals thermoluminescence studies
  71. Low-Temperature Specific Heats ofAgAuAlloys