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
CLADE is revolutionizing bioanalytics by simplifying the complex process of chemical analysis through a unique combination of chemometrics and state-of-the-art spectroscopic technology. It delivers fast, accurate, and reproducible results, transforming liquid samples into digital fingerprints in just four minutes. At the core of CLADE's technology is the MIRA Analyzer, which records exceptionally precise mid-infrared spectra of aqueous samples in transmission mode over the analytically relevant wavenumber range. MIRA's automated features include sample and reference injection, correction of atmospheric influences, determination of optical path length, and cleaning and rinsing of the entire system, ensuring superior data quality. Complementing MIRA is CLADE's Sphere, a cloud-based platform designed to simplify bioanalytics.
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Platforms Supported
Windows
Supported
Mac
Supported
Linux
Supported
Cloud
Not Supported
On-Premises
Not Supported
iPhone
Not Supported
iPad
Not Supported
Android
Not Supported
Chromebook
Not Supported
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Platforms Supported
Windows
Not Supported
Mac
Not Supported
Linux
Not Supported
Cloud
Supported
On-Premises
Not Supported
iPhone
Not Supported
iPad
Not Supported
Android
Not Supported
Chromebook
Not Supported
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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
Biopharmaceutical professionals in need of a tool to enhance quality control and streamline processes across the entire value chain
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Support
Phone Support
Supported
24/7 Live Support
Supported
Online
Supported
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Support
Phone Support
Supported
24/7 Live Support
Supported
Online
Supported
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API
Offers API
Not Supported
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API
Offers API
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Pricing
No information available.
Free Version
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Free Trial
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Pricing
No information available.
Free Version
Not Supported
Free Trial
Not Supported
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Reviews/
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Reviews/
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Training
Documentation
Supported
Webinars
Supported
Live Online
Supported
In Person
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Training
Documentation
Supported
Webinars
Not Supported
Live Online
Not Supported
In Person
Not Supported
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Company InformationDassault Systèmes
Founded: 1981
France
www.3ds.com/products/biovia/turbomole
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Company InformationCLADE
Founded: 2001
Germany
clade.io
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Integrations
No info available.
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Integrations
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