Ratings and Reviews 0 Ratings
Ratings and Reviews 0 Ratings
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What is BIOVIA TURBOMOLE?
BIOVIA TURBOMOLE is a cutting-edge software suite designed for quantum chemistry, focusing on ab initio electronic structure calculations applicable to diverse systems like molecules, clusters, periodic structures, and solutions. Initially created at the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, it is now overseen by TURBOMOLE GmbH, which has broadened its functionality to encompass a variety of computational techniques, including density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster methods, and GW-Bethe–Salpeter approaches. The software is particularly notable for its accuracy in predicting outcomes related to chemical reactions, spectroscopy, and the simulation of optical devices. Among its standout features are the optimization of reaction pathways, identification of transition states, and the modeling of solvation effects using COSMO-RS. Furthermore, its spectroscopic capabilities span a multitude of methods such as IR, Raman, VCD, UV-Vis, and vibronic spectra, while its optical property simulations are bolstered by advanced techniques for spin-orbit coupling and relativistic all-electron calculations. As a result, BIOVIA TURBOMOLE proves to be an invaluable tool for researchers delving into intricate chemical systems and their underlying properties, paving the way for innovative discoveries in the field of quantum chemistry. With its comprehensive range of features, it continues to be a cornerstone for academics and industry professionals alike.
What is BIOVIA COSMO-RS?
BIOVIA COSMO-RS is a comprehensive toolkit designed for modeling and predicting the characteristics of fluid phases, enabling professionals such as chemical engineers, chemists, formulation specialists, and materials scientists to innovate and create solutions more efficiently than through conventional testing and experimentation methods, thus fostering innovation and reducing costs. The simulations carried out with COSMO-RS are firmly rooted in a robust scientific framework, ensuring reliable predictions across all aspects of liquid-state chemistry. Utilizing a first-principle approach, it can anticipate the properties of novel compounds that have not yet been synthesized, expanding the frontiers of known chemical possibilities. The BIOVIA team comprises the original developers of COSMO-RS, offering swift support and unmatched expertise to address even the most intricate challenges in solution thermodynamics. Moreover, the key benefits include a strong scientific foundation that integrates quantum chemistry with thermodynamics to guarantee both precision and dependability, enhancing the understanding of fluid behaviors in diverse scenarios. This holistic approach not only simplifies the research process but also paves the way for new research opportunities in the field, thereby enriching the scientific community's ability to tackle emerging challenges. Ultimately, COSMO-RS stands as a vital resource for advancing chemical research and innovation.
Integrations Supported
Additional information not provided
Integrations Supported
Additional information not provided
API Availability
Has API
API Availability
Has API
Pricing Information
Pricing not provided.
Free Trial Offered?
Free Version
Pricing Information
Pricing not provided.
Free Trial Offered?
Free Version
Supported Platforms
SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux
Supported Platforms
SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux
Customer Service / Support
Standard Support
24 Hour Support
Web-Based Support
Customer Service / Support
Standard Support
24 Hour Support
Web-Based Support
Training Options
Documentation Hub
Webinars
Online Training
On-Site Training
Training Options
Documentation Hub
Webinars
Online Training
On-Site Training
Company Facts
Organization Name
Dassault Systèmes
Date Founded
1981
Company Location
France
Company Website
www.3ds.com/products/biovia/turbomole
Company Facts
Organization Name
Dassault Systèmes
Date Founded
1981
Company Location
France
Company Website
www.3ds.com/products/biovia/cosmo-rs
Categories and 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
Categories and 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