Last Update:2021/03/06

Official site


Winmostar License : Student Edition and Free  Edition (Limited Functionality) are free to use.
Availability 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)
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.)
Related App
Other ・Over 40 free educational materials are now available ・ Free one-month trial of all the features is available ・E-mail support