Materials Studio ONETEP is a linear scaling DFT code, enabling accurate, first principles calculations on systems of up to thousands of atoms. The method can be applied to compute the NMR shifts of both molecules and solids for a wide range of materials including ceramics and semiconductors. Materials Studio NMR CASTEP predicts NMR chemical shifts and electric field gradient tensors from first principles.
It uses a tight-binding approach based on density functional theory to enable quantum mechanical accuracy on larger system sizes. Materials Studio DFTB+ Materials Studio DFTB+ is a semi-empirical module for simulating electronic properties of materials. Materials Studio DMol3 Materials Studio DMol3 is used to model the electronic structure and properties of organic and inorganic molecules, molecular crystals, covalent solids, metallic solids, and infinite surfaces using DFT. Materials Studio CASTEP simulates the properties of solids, interfaces, and surfaces for a wide range of materials including ceramics, semiconductors, and metals using a plane-wave density functional method. Cantera Reaction Editor enables users to introduce new species and reactions, optionally with reaction rates determined from Materials Studio DMol3, into complex reaction schemes with existing experimentally determined thermodynamic data. Materials Studio Cantera provides environment for configuring the thermodynamic input, and for executing these calculations. Product DescriptionMaterials Studio CANTERAĬantera [is a solver for chemical rate equations. Its broad range of solutions enable researchers to evaluate materials at various particle sizes and time scales in order to predict properties more accurately and evaluate performance in the shortest time possible. SOLUTION TECHNOLOGIESMaterials Studio provides a complete range of simulation capabilities from quantum, atomistic, mesoscale, statistical, analytical and crystallization tools.
#WHAT IS MATERIALS STUDIO WINDOWS#
Materials Visualizers Microsoft Windows client operates with a range of Windows and Linux server architectures to provide a highly responsive user experience. Most tools in the Materials Visualizer can also be accessed through the MaterialsScript API, allowing expert users to create custom capabilities and automate repetitive tasks.
#WHAT IS MATERIALS STUDIO FULL#
It also supports the full range of Materials Studio simulations with capabilities to visualize results through images, animations, graphs, charts, tables, and textual data. Materials Visualizer provides capability to construct, manipulate and view models of molecules, crystalline materials, surfaces, polymers, and mesoscale structures. VISUALIZATIONChemists, polymer scientists, and other materials scientists become productive faster and with less effort using Materials Visualizer, the easiest to use and most complete graphical user environment for materials modeling and simulation. Powerful materials informatics capabilities through adoption of computational materials science as a complement to laboratory experimentation.Īutomation & best-practice sharing with the Materials Studio Collection for BIOVIA Pipeline Pilot, as well as the MaterialsScript API. Improved fundamental understanding of the relationship between atomic and molecular structure with material properties and behavior. Reduction in cost and time associated with physical testing and experimentation through Virtual Screening of candidate material variations.Īcceleration of the innovation process - developing new, better performing, more sustainable, and cost effective materials faster than can be done with physical testing and experimentation. Using Materials Studio, materials scientists experience the following benefits:
Materials Studio is the worlds most advanced, yet easy to use environment for modeling and evaluating materials performance and behavior. Using Materials Studio, researchers in many industries can engineer better performing materials of all types, including pharmaceuticals, catalysts, polymers and composites, metals and alloys, batteries and fuel cells, nanomaterials, and more.
BIOVIA Materials Studio is a complete modeling and simulation environment that enables researchers in materials science and chemistry to develop new materials by predicting the relationships of a materials atomic and molecular structure with its properties and behavior. Modeling and Simulation for Next Generation Materials.
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