Last Update:2022/04/20

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Winmostar License :

Student Edition and Free  Edition (Limited Functionality) are free to use.


Binary for Windows

Core Developers

X-Ability Co., Ltd.

Target substance/model

Molecules, Complexes (N-mers can also be made)
Liquid, Amorphous structure of polymer (Multi-component systems such as solutions are also available.)
Crystals, Surfaces (Slab model, including adsorption model), Clusters
Interface (Gas-Liquid, Liquid-Liquid, Solid-Gas, Solid-Liquid, Solid-Solid)
Solid solution

Physical quantities that can be computed

Stable structure in solution in vacuum
Energy and shape of molecular orbital
Distribution of electrostatic potential and point charge (including the RESP charge)
Transition state (reaction heat and activation energy)
Spectra (IR, Raman, NMR, UV-Vis, XANES, EELS)
Thermodynamic quantities (density, specific heat, enthalpy, free energy, etc.)
Solubility parameter
Phase equilibrium properties (vapor pressure, interfacial tension, melting point, boiling point, etc.)
Response properties (permittivity, modulus, thermal conductivity, and viscosity)
Non-equilibrium properties (glass transition temperature, strain-stress curve, friction, etc.)
Radial distribution function, scattering function, and free volume
Mean square displacement, self-diffusion coefficient, and ionic conductivity
Density of states, band structure, Fermi surface
Phonon density of states and band structure
Work function
Physical properties in environments with potential differences (standard electrode potential, etc.)

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