Average Ratings 0 Ratings

Total
ease
features
design
support

No User Reviews. Be the first to provide a review:

Write a Review

Average Ratings 0 Ratings

Total
ease
features
design
support

No User Reviews. Be the first to provide a review:

Write a Review

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

Khimera serves as a tool for determining the kinetic parameters associated with microscopic processes, as well as the thermodynamic and transport characteristics of various substances and their mixtures within gases, plasmas, and at the gas-solid interface. Its main users include engineers and researchers who focus on developing kinetic models and engaging in thermodynamic and kinetic simulations pertinent to fields such as chemical engineering, combustion, catalysis, metallurgy, and microelectronics. This software is particularly well-suited for multi-scale modeling, as it connects the fundamental molecular properties of individual molecules with the ensemble-averaged characteristics of the reactive medium, encompassing thermodynamic and transport properties along with the rates of chemical reactions. Additionally, Khimera allows for the integration of quantum-chemical simulation results, enabling users to derive properties without requiring any experimental data from their side. By bridging the gap between different scales of modeling, Khimera enhances the understanding of complex systems in various scientific domains.

API Access

Has API

API Access

Has API

Screenshots View All

Screenshots View All

Integrations

Python

Integrations

Python

Pricing Details

Free
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

ESPResSo

Country

United States

Website

espressomd.org/wordpress/

Vendor Details

Company Name

Kintech Laboratory

Country

Russian Federation

Website

www.kintechlab.com/products/khimera/

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

Computer-Aided Engineering (CAE)

CAD/CAM Compatibility
Finite Element Analysis
Fluid Dynamics
Import / Export Files
Integrated 3D Modeling
Manufacturing Process Simulation
Mechanical Event Simulation
Multibody Dynamics
Thermal Analysis

Alternatives

Alternatives

BIOVIA COSMO-RS Reviews

BIOVIA COSMO-RS

Dassault Systèmes
BIOVIA COSMOtherm Reviews

BIOVIA COSMOtherm

Dassault Systèmes
MFiX Reviews

MFiX

National Energy Technology Laboratory
NAMD Reviews

NAMD

Theoretical and Computational Biophysics Group
Aurora Drug Discovery Reviews

Aurora Drug Discovery

Aurora Fine Chemicals