BIOVIA TURBOMOLEDassault Systèmes
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Relevance Lab SPECTRARelevance Lab
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Related Products
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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
SPECTRA is an AI-driven data analytics and integration platform designed to intelligently collect, harmonize, process, and move data across multiple systems so organizations can unlock business value from disparate data sources. It helps centralize data that is often spread across applications and geographies, enabling smoother functionality, faster insights, and reduced operational friction. SPECTRA supports advanced data extraction and management services, builds scalable data lakes that serve as a single source of truth, and modernizes data warehouses to improve speed, efficiency, and analytical capability. It can ingest structured and unstructured data and apply AI-enhanced analytics to help businesses derive actionable insights and improve decision-making across functions. By consolidating and standardizing data with tools such as optical character recognition and intelligent data labeling, SPECTRA accelerates analytics initiatives, enhances R&D and compliance efforts.
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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
Enterprise data teams and business analysts who seek AI-enabled analytics and data integration to centralize diverse data sources, drive insights, and support data-driven decision-making
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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 |
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 InformationRelevance Lab
Founded: 2011
United States
www.relevancelab.com/platforms/spectra
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Categories |
Categories |
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Integrations
Databricks Data Intelligence Platform
Java
MySQL
Oracle Cloud Infrastructure
PHP
PostgreSQL
Python
SQL Server
Snowflake
Tableau
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Integrations
Databricks Data Intelligence Platform
Java
MySQL
Oracle Cloud Infrastructure
PHP
PostgreSQL
Python
SQL Server
Snowflake
Tableau
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