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Description
ESPResSo, which stands for the Extensible Simulation Package for Research on Soft Matter, is a flexible and open-source simulation tool designed for executing and analyzing molecular dynamics and Monte Carlo simulations involving multiple particles. This package serves as a comprehensive resource for modeling a diverse range of soft matter systems, with a particular focus on coarse-grained atomistic or bead-spring models that find applications in fields such as physics, chemistry, molecular biology, and engineering processes. Users can leverage ESPResSo to simulate various phenomena, including polymers, liquid crystals, colloids, polyelectrolytes, ferrofluids, gels, biological systems, DNA structures, lipid membranes, bacterial movements, and even super-capacitors. By employing coarse-grained models, where clusters of atoms or molecules are simplified into single beads, researchers can explore significantly larger time and length scales that would be unfeasible with purely atomistic approaches. Furthermore, ESPResSo enables the execution of classical molecular dynamics simulations across multiple statistical ensembles, enhancing its versatility in scientific research. This capability allows scientists to tackle complex problems in soft matter physics more efficiently and effectively.
Description
SYNTHIA™ Retrosynthesis software, developed by computer scientists and coded by chemists, allows scientists to quickly and easily navigate novel and innovative pathways for novel and previously published target molecules.
You can quickly and efficiently scan hundreds pathways to identify the best options for your needs.
Discover the most cost-effective route to your target molecule with the latest visualization and filtering features.
You can easily customize the search parameters to eliminate or highlight reactions, reagents, or classes of molecules.
Explore innovative and unique syntheses to build your desired molecule.
Easy to generate a list for starting materials that are commercially available for your synthesis.
ISO/IEC 27001 Information Security Certification will guarantee the confidentiality, integrity and protection of your data.
API Access
Has API
API Access
Has API
Integrations
Python
Pricing Details
Free
Free Trial
Free Version
Pricing Details
€0 / 30 days
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
ESPResSo
Country
United States
Website
espressomd.org/wordpress/
Vendor Details
Company Name
Merck KGaA
Founded
1668
Country
Germany
Website
www.synthiaonline.com