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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 No 

API Access

Has API No 

Screenshots View All

Screenshots View All

Integrations

Azure Marketplace No 
Bayesforge No 
Q-CTRL No 
Superstaq No 

Integrations

Azure Marketplace Yes 
Bayesforge Yes 
Q-CTRL Yes 
Superstaq Yes 

Pricing Details

No price information available.
Free Trial No 
Free Version No 

Pricing Details

No price information available.
Free Trial No 
Free Version No 

Deployment

Web-Based No 
On-Premises No 
iPhone App No 
iPad App No 
Android App No 
Windows Yes 
Mac No 
Linux No 
Chromebook No 

Deployment

Web-Based Yes 
On-Premises No 
iPhone App No 
iPad App No 
Android App No 
Windows No 
Mac No 
Linux No 
Chromebook No 

Customer Support

Business Hours Yes 
Live Rep (24/7) Yes 
Online Support Yes 

Customer Support

Business Hours No 
Live Rep (24/7) No 
Online Support Yes 

Types of Training

Training Docs Yes 
Webinars Yes 
Live Training (Online) Yes 
In Person Yes 

Types of Training

Training Docs Yes 
Webinars No 
Live Training (Online) No 
In Person No 

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 No 
Chemical Process Simulation No 
Computer-Assisted Structure Elucidation (CASE) No 
ISO Management No 
Inventory Management No 
Particle Tracking No 
Reporting & Statistics No 
Samples Tracking No 
Traceability No 
Uncertainty Analysis No 

Product Features

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