BIOVIA TURBOMOLE

BIOVIA TURBOMOLE

Dassault Systèmes
Relevance Lab SPECTRA

Relevance Lab SPECTRA

Relevance Lab
+
+

Related Products

  • SDS Manager
    4 Ratings
    Visit Website
  • Infor M3
    145 Ratings
    Visit Website
  • HSI Donesafe
    150 Ratings
    Visit Website
  • LabWare LIMS
    113 Ratings
    Visit Website
  • QBench
    134 Ratings
    Visit Website
  • Screencapt
    114 Ratings
    Visit Website
  • LogicalDOC
    123 Ratings
    Visit Website
  • Fixed Asset Pro
    174 Ratings
    Visit Website
  • ScriptSure
    30 Ratings
    Visit Website
  • Paccurate
    11 Ratings
    Visit Website

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

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.

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

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

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

Relevance Lab
Founded: 2011
United States
www.relevancelab.com/platforms/spectra

Alternatives

BIOVIA COSMO-RS

BIOVIA COSMO-RS

Dassault Systèmes

Alternatives

BIOVIA COSMOtherm

BIOVIA COSMOtherm

Dassault Systèmes
InQuanto

InQuanto

Quantinuum
NMR Predictors

NMR Predictors

ACD/Labs
Khimera

Khimera

Kintech Laboratory
SpectraLayers

SpectraLayers

Steinberg

Categories

Categories

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
Claim BIOVIA TURBOMOLE and update features and information
Claim BIOVIA TURBOMOLE and update features and information
Claim Relevance Lab SPECTRA and update features and information
Claim Relevance Lab SPECTRA and update features and information