BIOVIA TURBOMOLEDassault Systèmes
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About
BIOVIA TURBOMOLE is a high-performance quantum chemistry software package designed for ab initio electronic structure calculations across molecules, clusters, periodic systems, and solutions. Developed initially by the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, and now maintained by TURBOMOLE GmbH, it offers a comprehensive suite of computational methods, including density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter methods. It excels in delivering accurate predictions for chemical reactions, spectroscopy, and optical device simulations, with features like reaction path optimizations, transition state searches, and solvation effects modeled using COSMO-RS. Spectroscopic capabilities encompass IR, Raman, VCD, UV-Vis, and vibronic spectra, while optical property simulations benefit from advanced spin-orbit coupling methods and relativistic all-electron calculations.
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About
Use our proprietary machine learning algorithms and APIs to predict experiment results, material properties, and manage all your data in one place. Let your data accelerate your research. Built to accelerate research and scale with you. Polymerize’s mission is to accelerate the development of high-performing materials. We do this by providing a comprehensive informatics platform to guide your R&D on the right path. Upload historical data and past experiments. Get predictions on material properties and formulations. Evaluate your results and personalize the algorithm. Manage all your data in a single connected workspace. Discover more insights from all your data. Propagate innovation across the organization with just one platform. Drive innovation for everyone using a single, unified workspace. Drive research forward together and eliminate silos. Manage and forecast with confidence. Propagate innovation across one platform.
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Audience
Computational chemists and materials scientists seeking a tool for accurate and efficient quantum chemical simulations, enabling in-depth analysis of molecular structures, reactions, and properties
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Audience
Researchers and companies looking for a solution to predict, manage and evaluate their experiment results and data
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Support
Phone Support
24/7 Live Support
Online
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Support
Phone Support
24/7 Live Support
Online
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API
Offers API
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API
Offers API
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Screenshots and Videos |
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Pricing
No information available.
Free Version
Free Trial
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Pricing
No information available.
Free Version
Free Trial
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Reviews/
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Reviews/
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Training
Documentation
Webinars
Live Online
In Person
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Training
Documentation
Webinars
Live Online
In Person
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Company InformationDassault Systèmes
Founded: 1981
France
www.3ds.com/products/biovia/turbomole
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Company InformationPolymerize
Singapore
polymerize.io
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Integrations
No info available.
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Integrations
No info available.
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