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Description

BIOVIA COSMOtherm represents a sophisticated implementation of COSMO-RS that merges principles of quantum chemistry with thermodynamics to forecast the thermodynamic characteristics of liquid substances. It computes the chemical potential of molecules in both pure and mixed liquids at varying temperatures, thus allowing for the estimation of various properties including solubility, partition coefficients, vapor pressures, and phase diagrams. In contrast to other approaches, COSMOtherm utilizes thermodynamically consistent equations to derive properties as a function of concentration and temperature, which enhances its accuracy. This tool is capable of predicting the solubility of liquids, solids, and gases, as well as providing values for activity coefficients, two-phase partitioning such as LogP, phase behavior, vapor pressures, free energy of solvation, pKa, energy of transfer to liquid-liquid interfaces, micellar and membrane partitioning, and interfacial tension. Additionally, COSMOtherm is equipped with a user-friendly graphical interface alongside a command-line version, facilitating smooth integration into pre-existing workflows, making it a versatile choice for researchers in the field. Its comprehensive capabilities make it a valuable asset for those seeking to understand complex liquid systems more thoroughly.

Description

We empower individuals to expand their vision, accelerate their creativity, and broaden their perspective. By integrating artificial intelligence and machine learning into our quantum solutions, we equip you with the tools necessary to tackle the most significant and urgent challenges facing our world today. Just as thermodynamics ignited the Industrial Revolution and electromagnetism paved the way for the information age, quantum computers are now leveraging the distinct data processing abilities afforded by quantum mechanics to drastically decrease the time and energy required for powerful computing applications. This marks the first groundbreaking advancement since the invention of the integrated circuit, positioning quantum computing to revolutionize every sector on a global scale. As this technology evolves, the disparity between innovators and those who follow will become increasingly challenging to bridge, emphasizing the critical need for timely adoption and adaptation. The future is bright for those who embrace these changes early on.

API Access

Has API

API Access

Has API

Screenshots View All

Screenshots View All

Integrations

Azure Marketplace
Bayesforge
Q-CTRL
Superstaq

Integrations

Azure Marketplace
Bayesforge
Q-CTRL
Superstaq

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/cosmo-rs/cosmotherm

Vendor Details

Company Name

Rigetti Computing

Founded

2013

Country

United States

Website

www.rigetti.com

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

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