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A new major version of the Materials and Processing Simulation Platform (MAPS®) has been released recently. Scienomics is pleased to inform customers and interested modelers that new exciting science is now available within the MAPS platform, including a plugin for TOWHEE, a comprehensive Monte Carlo simulation tool developed by Sandia National Labs. TOWHEE will allow users to simulate adsorbtion phenomena in porous materials, gas/liquid and liquid/liquid phase equilibribia and solubilities amongst other properties. A new plugin for QMpot is another highlight for MAPS® 3.0. QMPot enables researchers to perform QM/MM simulations within the framework of MAPS, studying parts of the system using quantum mechanics tools and other parts classically. Please find below the list of new functionality for MAPS® 3.0:
| • Towhee plugin • QMPot plugin • Inclusion of more generic force fields • Extension to the LAMMPS plugin • Extensions to Analysis • Enhancements to the Crystal Builder • Enhancements to the Surface Builder • Performance improvements • Extensions to the Abinit plugin • DACAPO plugin |  | LST/QST and the force field fitter (ForFit) will be delivered to customers in an interim release in a few months.With MAPS® 3.0 Scienomics continues it's history of developing creative modeling solutions for materials science, and it's commitment to customers to make the most modern technology available in a user friendly environment, including flexible Python scipting for all tools. |
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