… density functional theory functional theory (DFT) calculations … of atomic and electronic structures
of aperiodic materials. … In contrast with a glass and a melt, an ideal crystal has a periodic …

We study the high frequency elastic constants for the metastable amorphous states of the
hard sphere liquid. The disordered states are identified using the classical density functional …

… Elastic constants for the inhomogeneous amorphous states of the hard-sphere system …
Formation of a crystalline and magnetic alloy phase (Fe3Ge) at the interfaces of Fe/Ge multilayers …

… density functional approximation to identify metastable free energy minima intermediate
between uniform fluid and crystalline … a result, the weighted density functional theories are less …

… It has also been found that non-crystalline materials with … a set of points forming an aperiodic
lattice. Equilibrium DFT has … potential including the hard sphere potential and Lennard-…

… regular crystals space filling requires an aperiodic repetition … A short summary of the basic
elements of the crystal structure … Hard-sphere models, which would assist in defining sufficient …

… large-scale density functional theory functional theory (DFT) … with a glass and a melt, an
ideal crystal has a periodic atomic … 6.31 (b) is a typical hard sphere pattern, and XCCA data …

… ligand field density functional theory LDA … solved by taking advantage of the properties of a
periodic lattice [23]. … atoms in a sample of glass, which, like a crystal, contains of the order of …

… Dopants are aperiodic structures within regular matrix structures, and in … atomic arrangement
in glass has revealed that crystal-like … electron microscopy HSMC Hard sphere Monte Carlo …

… ], is rooted in the classical density functional theory of the glassy state … aperiodic crystal
formation from the ordinary liquid-to-crystal transition, the emergence of the degenerate aperiodic …