Ali Maghari

Van der Waals Interactions in DFT Made Easy by Wannier Functions

Revealing the nature of intermolecular interaction and configurational preference of the nonpolar molecular dimers (H2)2, (N2)2, and (H2)(N2)

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

Peptoid-directed assembly of CdSe nanoparticles

Semiempirical van der Waals correction to the density functional description of solids and molecular structures

Maximally localized Wannier functions: Theory and applications

Alignment of Au nanorods along de novo designed protein nanofibers studied with automated image analysis

A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

Interaction of insulin with colloidal ZnS quantum dots functionalized by various surface capping agents

An improved ab initio potential energy surface for N2–N2