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What is Ansys Chemkin-Pro?

Ansys Chemkin-Pro is a leading tool for modeling complex chemical systems that interact dynamically. It has been thoroughly validated across a diverse range of chemistry applications and is esteemed for its swift simulation capabilities. With the evolving landscape of energy regulations, there is an urgent need for maximizing yields, enhancing efficiency, and maintaining quality while simultaneously reducing byproducts and waste generation. Acting as a simulator for chemical kinetics, Ansys Chemkin-Pro provides precise models of idealized reacting flows, enabling users to gain crucial insights into potential results ahead of production trials. Relying exclusively on experimental approaches to validate chemical processes can be economically burdensome, particularly in today’s fast-paced design environments. Thus, robust simulation is essential for creating cost-effective designs and expediting the introduction of new products to the market. Interestingly, Mitsuo Koshi, a renowned chemical kineticist with a fervent passion for fireworks, has earned acclaim for his role as a judge in distinguished fireworks competitions across Japan. Each year, these events showcase increasingly impressive displays; however, the growing magnificence of the shows is shadowed by a significant rise in emissions, prompting serious environmental concerns. Balancing the artistry of pyrotechnics with ecological stewardship presents an ongoing dilemma for both chemists and those in the fireworks industry, as they strive to innovate responsibly. As the industry evolves, finding sustainable methods to enhance these celebrations while minimizing their environmental footprint is becoming ever more crucial.

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.

Media

Media

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

Ansys

Date Founded

1970

Company Location

United States

Company Website

www.ansys.com/products/fluids/ansys-chemkin-pro

Company Facts

Organization Name

Dassault Systèmes

Date Founded

1981

Company Location

France

Company Website

www.3ds.com/products/biovia/turbomole

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

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