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CP2K can perform atomistic and molecular simulations of solid state, liquid and biological systems. Free open source GNU GPLv2 or later CP2K: Desmond: Yes Yes Yes Yes No Yes No No Yes High performance MD; has comprehensive GUI to build, visualize, and review results and calculation setup up and launch Proprietary, commercial or gratis
Programmable matter is a term originally coined in 1991 by Toffoli and Margolus to refer to an ensemble of fine-grained computing elements arranged in space. [1] Their paper describes a computing substrate that is composed of fine-grained compute nodes distributed throughout space which communicate using only nearest neighbor interactions.
Wetting solutions are liquids containing active chemical compounds that minimise the distance between two immiscible phases by lowering the surface tension to induce optimal spreading. The two phases, known as an interface, can be classified into five categories, namely, solid-solid, solid-liquid, solid-gas, liquid-liquid and liquid-gas. [1]
‡ Support for periodic systems (3d-crystals, 2d-slabs, 1d-rods and isolated molecules): 3d-periodic codes always allow simulating systems with lower dimensionality within a supercell. Specified here is the ability for simulating within lower periodicity.
In software programming, SOLID is a mnemonic acronym for five design principles intended to make object-oriented designs more understandable, flexible, and maintainable. Although the SOLID principles apply to any object-oriented design, they can also form a core philosophy for methodologies such as agile development or adaptive software ...
A molecular solid is a solid consisting of discrete molecules. The cohesive forces that bind the molecules together are van der Waals forces , dipole–dipole interactions , quadrupole interactions , π–π interactions , hydrogen bonding , halogen bonding , London dispersion forces , and in some molecular solids, coulombic interactions .
Liquid crystals can consist of proteins, small molecules, or polymers, that can be manipulated to form cohesive order in a specific direction. [38] They exhibit liquid-like behavior in that they can flow, yet they can obtain close-to-crystal alignment. One feature of liquid crystals is their ability to spontaneously break symmetry. [39]
Therefore, liquid and solid are both termed condensed matter. On the other hand, as liquids and gases share the ability to flow, they are both called fluids. A liquid is made up of tiny vibrating particles of matter, such as atoms, held together by intermolecular bonds. Like a gas, a liquid is able to flow and take the shape of a container.