All Stories

  1. Lattice Boltzmann electrokinetics simulation of nanocapacitors
  2. Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections
  3. Hydration structure of a clay
  4. Molecular density functional theory of water describing hydrophobicity at short and long length scales
  5. Accounting for sorption processes in fluid dynamics
  6. Structure and dynamics in yttrium-based molten rare earth alkali fluorides
  7. Anomalous surface segregation profiles in ferritic Fe-Cr stainless steel
  8. Molecular Density Functional Theory of Water
  9. Molecular diffusion between walls with adsorption and desorption
  10. Solvation of complex surfaces via molecular density functional theory
  11. Effect of surface hydrogen on the anomalous surface segregation behavior of Cr in Fe-rich Fe-Cr alloys
  12. Taylor dispersion with adsorption and desorption
  13. Scalar fundamental measure theory for hard spheres in three dimensions: Application to hydrophobic solvation
  14. Electronic origin of the anomalous segregation behavior of Cr in Fe-rich Fe-Cr alloys
  15. Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys
  16. Simulations of Decomposition Kinetics of Fe-Cr Solid Solutions during Thermal Aging