Average Ratings 0 Ratings
Average Ratings 0 Ratings
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
DWSIM is a versatile and free chemical process simulator that adheres to CAPE-OPEN standards, functioning seamlessly on multiple operating systems like Windows, Linux, macOS, Android, and iOS. Its user-friendly graphical interface allows for features that were once only available in paid software. The simulator excels in both steady-state and dynamic modeling by employing a parallel modular solver for enhanced efficiency. Additionally, DWSIM comes equipped with sophisticated property packages. Users can access an extensive array of unit operations, such as mixers, splitters, separators, pumps, compressors, expanders, heaters, coolers, valves, pipe segments, shortcut columns, heat exchangers, a variety of reactors, distillation and absorption columns, solids separators, and cake filters, alongside spreadsheets, Python scripts, and flowsheet unit operations. Furthermore, it includes an Excel Add-In for executing thermodynamic calculations directly within spreadsheets, as well as an automation API that facilitates the creation, modification, execution, and saving of flowsheets, making it an all-encompassing tool for chemical engineering. With its robust capabilities and user-centric design, DWSIM stands out as an invaluable resource for professionals in the field.
API Access
Has API
API Access
Has API
Integrations
Microsoft Excel
Python
Pricing Details
No price information available.
Free Trial
Free Version
Pricing Details
Free
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
DWSIM
Country
United States
Website
dwsim.org
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
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
Simulation
1D Simulation
3D Modeling
3D Simulation
Agent-Based Modeling
Continuous Modeling
Design Analysis
Direct Manipulation
Discrete Event Modeling
Dynamic Modeling
Graphical Modeling
Industry Specific Database
Monte Carlo Simulation
Motion Modeling
Presentation Tools
Stochastic Modeling
Turbulence Modeling