Scienomics started operations in March 2004. Scienomics' team is composed of scientists with a long and strong experience in the domain of in silico modeling of materials and processes. Moreover, Scienomics enjoys a large network of academic collaborators in various domains of science involved routinely in the R&D workflow. Scienomics provides software that helps organizations to use simulation technologies for product and process design & optimization in their R&D activities. Our mission is to transform virtual experimentation into an engineering tool.
Scienomics' simulations platform, MAPS®, offers in a unique environment state-of-the-art software technology in the fields of quantum simulations, classical simulations, mesoscale simulations and chemical engineering simulations.
MAPS® is a flexible and customizable platform for molecular modeling and process simulations. MAPS®already contains state-of-the-art simulation codes. Moreover, MAPS® optionally, comes with a full set of APIs and corresponding documentation which allows the end users to integrate which codes they want under a common user workspace. Due to its architecture, MAPS® makes it possible to integrate and use the most up-to-date simulation codes when you need them. MAPS is mandatory for any of the following codes/programs.
Chemical Engineering Area Sci-Therm a tool employing highly accurate equations of state, such as the SAFT and PC-SAFT, for predicting thermodynamic properties and phase equilibria of single components and multi component fluid mixtures. It provides a database with parameters for several classes of Systems and allows the regression of parameters with a built in regression tool. This is an engine entirely developed by Scienomics R&D investment. It implements state-of-the-art thermodynamic models of the SAFT family of equations of state. It also allows the reliable prediction of physical properties aimed to be used in process modeling. The field of applications covers several industrial segments as chemicals, oil and gas, separations, pharmaceuticals an related industries.
Classical Simulations Area
Amorphous Builder a fast periodic amorphous liquid and polymeric systems builder. The Amorphous builder is developed in cooperation with the group of Prof. Doros Theodorou in Athens, and it is using the most modern Monte Carlo technology to build polymeric amorphous systems. With this technology it is possible to generate almost every polymer at it's experimental density, even high density polymers like kapton or polysulfonates with densities up to 1.5g/cm3 can be build in one step.
LAMMPS originally developed under a US Department of Energy CRADA (Cooperative Research and Development Agreement) between two DOE labs and 3 companies. It is a classical molecular dynamics code for a large variety of system types. LAMMPS is a classical molecular dynamics code that models an ensemble of particles in a liquid, solid, or gaseous state. It can model atomic, polymeric, biological, metallic, or granular systems using a variety of force fields and boundary conditions.
ToWhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibrium using atom-based force fields with particular attention paid to algorithms addressing molecule conformation sampling. Towhee has subsequently been extended to several ensembles, many different force fields, and solid (or at least porous) phases.
FHMixing is a predicting tool for thermodynamic properties of binary mixtures using the Molecular Silverware algorithm. Mixture properties are generated using the lattice based Flory Huggins theory. FHMixing is ideal for quickly screening the miscibility of hundreds of molecules and a powerful tool for the parameterization of mesoscopic simulations, as for example the dissipative particle dynamics code SciDPD.
Scienomics started operations in March 2004. Scienomics' team is composed of scientists with a long and strong experience in the domain of in silico modeling of materials and processes. Moreover, Scienomics enjoys a large network of academic collaborators in various domains of science involved routinely in the R&D workflow. Scienomics provides software that helps organizations to use simulation technologies for product and process design & optimization in their R&D activities. Our mission is to transform virtual experimentation into an engineering tool.
Scienomics' simulations platform, MAPS®, offers in a unique environment state-of-the-art software technology in the fields of quantum simulations, classical simulations, mesoscale simulations and chemical engineering simulations. 
