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Description
BIOVIA TURBOMOLE is an advanced software package for quantum chemistry that specializes in ab initio electronic structure calculations for a variety of systems, including molecules, clusters, periodic structures, and solutions. Originally developed at the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, the package is currently managed by TURBOMOLE GmbH, which has expanded its capabilities to include a wide range of computational methods such as density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter approaches. It stands out for its ability to provide precise predictions related to chemical reactions, spectroscopy, and simulations of optical devices. Key features include optimization of reaction pathways, searches for transition states, and the modeling of solvation effects through COSMO-RS. Additionally, its spectroscopic tools cover various techniques such as IR, Raman, VCD, UV-Vis, and vibronic spectra, while simulations of optical properties are enhanced by sophisticated methods for spin-orbit coupling and relativistic all-electron calculations. This powerful software thus serves as an essential resource for researchers aiming to explore complex chemical systems and their properties.
Description
SPECTRA is an innovative platform that leverages AI for data analytics and integration, enabling organizations to smartly gather, harmonize, process, and transfer data from various systems, thereby unlocking significant business value from diverse data sources. By centralizing data that is frequently dispersed across different applications and locations, it facilitates more seamless operations, quicker insights, and diminishes operational hurdles. SPECTRA also provides advanced services for data extraction and management, helping to establish scalable data lakes that act as a unified source of truth while modernizing data warehouses to enhance speed, efficiency, and analytical capabilities. It is capable of processing both structured and unstructured data and utilizes AI-enhanced analytics to aid businesses in extracting actionable insights, ultimately refining decision-making processes across various functions. Furthermore, SPECTRA streamlines analytics projects and bolsters research and development along with compliance efforts by integrating and standardizing data through technologies like optical character recognition and intelligent data labeling, which significantly enhances operational agility. In this way, organizations can better adapt to changing market demands and improve overall productivity.
API Access
Has API
API Access
Has API
Integrations
Databricks Data Intelligence Platform
Java
MySQL
Oracle Cloud Infrastructure
PHP
PostgreSQL
Python
SQL Server
Snowflake
Tableau
Integrations
Databricks Data Intelligence Platform
Java
MySQL
Oracle Cloud Infrastructure
PHP
PostgreSQL
Python
SQL Server
Snowflake
Tableau
Pricing Details
No price information available.
Free Trial
Free Version
Pricing Details
No price information available.
Free Trial
Free Version
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Vendor Details
Company Name
Dassault Systèmes
Founded
1981
Country
France
Website
www.3ds.com/products/biovia/turbomole
Vendor Details
Company Name
Relevance Lab
Founded
2011
Country
United States
Website
www.relevancelab.com/platforms/spectra
Product Features
Chemical
Certificates of Analysis
Chemical Process Simulation
Computer-Assisted Structure Elucidation (CASE)
ISO Management
Inventory Management
Particle Tracking
Reporting & Statistics
Samples Tracking
Traceability
Uncertainty Analysis
