BIOVIA TURBOMOLE

BIOVIA TURBOMOLE

Dassault 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.

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.

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

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

Audience

Researchers and companies looking for a solution to predict, manage and evaluate their experiment results and data

Support

Phone Support
24/7 Live Support
Online

Support

Phone Support
24/7 Live Support
Online

API

Offers API

API

Offers API

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version
Free Trial

Pricing

No information available.
Free Version
Free Trial

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation
Webinars
Live Online
In Person

Training

Documentation
Webinars
Live Online
In Person

Company Information

Dassault Systèmes
Founded: 1981
France
www.3ds.com/products/biovia/turbomole

Company Information

Polymerize
Singapore
polymerize.io

Alternatives

BIOVIA COSMO-RS

BIOVIA COSMO-RS

Dassault Systèmes

Alternatives

BIOVIA

BIOVIA

Dassault Systèmes
BIOVIA COSMOtherm

BIOVIA COSMOtherm

Dassault Systèmes
InQuanto

InQuanto

Quantinuum
Khimera

Khimera

Kintech Laboratory
BIOVIA COSMO-RS

BIOVIA COSMO-RS

Dassault Systèmes

Categories

Categories

Integrations

No info available.

Integrations

No info available.
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