All Stories

  1. Surface viscosity in simple liquids
  2. The supercool(ed) surface of water
  3. Phase stability of the ice XVII-based CO2 chiral hydrate from molecular dynamics simulations
  4. Layer-by-Layer Formation of Oligoelectrolyte Multilayers: A Combined Experimental and Computational Study
  5. The generalized identification of truly interfacial molecules (ITIM) algorithm for nonplanar interfaces
  6. Anesthetic molecules embedded in a lipid membrane: a computer simulation study
  7. Properties of water in the interfacial region of a polyelectrolyte bilayer adsorbed onto a substrate studied by computer simulations
  8. Erratum: “Puckering free energy of pyranoses: An NMR and metadynamics–umbrella sampling investigation” [J. Chem. Phys. 133, 095104 (2010)]
  9. Dominant folding pathways of a peptide chain from ab initio quantum-mechanical simulations
  10. An atomistic study of a poly(styrene sulfonate)/poly(diallyldimethylammonium) bilayer: the role of surface properties and charge reversal