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Free, MIT: Fortran 90: Unknown: Unknown: No: Unknown: Unknown CP2K: Free, GPL: Fortran 95: Yes: Yes: Yes, CUDA and OpenCL: Unknown: Unknown CPMD: Academic: Fortran: Yes: Yes: No: Unknown: Unknown CRYSTAL: Academic (UK), Commercial (IT) Fortran: Yes: Yes: No: Unknown: Unknown Dalton: Free, LGPL: Fortran: Yes: Yes, LSDalton ...
Lattice-based cryptography is the generic term for constructions of cryptographic primitives that involve lattices, either in the construction itself or in the security proof. Lattice-based constructions support important standards of post-quantum cryptography. [1] Unlike more widely used and known public-key schemes such as the RSA, Diffie ...
Crystals of proteins grown on the U.S. Space Shuttle or Russian Space Station, Mir. Protein crystallization is the process of formation of a regular array of individual protein molecules stabilized by crystal contacts. If the crystal is sufficiently ordered, it will diffract. Some proteins naturally form crystalline arrays, like aquaporin in ...
A crystallographic database is a database specifically designed to store information about the structure of molecules and crystals. Crystals are solids having, in all three dimensions of space, a regularly repeating arrangement of atoms, ions, or molecules. They are characterized by symmetry, morphology, and directionally dependent physical ...
Quasicrystal. Potential energy surface for silver depositing on an aluminium – palladium – manganese (Al–Pd–Mn) quasicrystal surface. Similar to Fig. 6 in Ref. [1] A quasiperiodic crystal, or quasicrystal, is a structure that is ordered but not periodic. A quasicrystalline pattern can continuously fill all available space, but it lacks ...
CRYSTAL is a quantum chemistry ab initio program, designed primarily for calculations on crystals (3 dimensions), slabs (2 dimensions) and polymers (1 dimension) using translational symmetry, but it can also be used for single molecules.
In the Cambridge Structural Database of small-molecule structures, more than 95% of the 500,000+ crystals have an R-factor lower than 0.15, and 9.5% have an R-factor lower than 0.03. Crystallographers also use the Free R-Factor ( R F r e e {\displaystyle R_{Free}} ) [3] to assess possible overmodeling of the data.
The Crystallography Open Database (COD) is a database of crystal structures. Unlike similar crystallography databases, the database is entirely open-access, with registered users able to contribute published and unpublished structures of small molecules and small to medium-sized unit cell crystals to the database.
The distortion free energy density is a quantity that describes the increase in the free energy density of a liquid crystal caused by distortions from its uniformly aligned configuration. It also commonly goes by the name Frank free energy density named after Frederick Charles Frank.
Mercury is a freeware developed by the Cambridge Crystallographic Data Centre, originally designed as a crystal structure visualization tool. Mercury helps three dimensional visualization of crystal structure and assists in drawing and analysis of crystal packing and intermolecular interactions.