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What is XPS (eXtended Particle Simulations)?

XPS, which stands for eXtended Particle Simulations, is an innovative simulation tool based on the Discrete Element Method, developed by RCPE and distributed globally by InSilicoTrials, specifically designed for high-accuracy simulations of particle-based processes. This software is especially advantageous for the pharmaceutical industry, as it facilitates precise predictions of the behavior of powders and granular materials, thus providing teams with critical insights and improving the management of pharmaceutical unit operations. By employing advanced contact models, XPS effectively describes the flow dynamics of granular materials and utilizes highly parallel algorithms optimized for modern GPUs, allowing for the simulation of up to 100 million particles in a fraction of the time. The unparalleled detail offered in process configuration evaluations enables pharmaceutical engineers to explore decision-making scenarios in a virtual environment, significantly reducing the reliance on costly and time-consuming physical experiments while promoting data-centric strategies for process development. Consequently, this cutting-edge software not only enhances operational efficiency but also deepens the understanding of material behaviors in pharmaceutical manufacturing settings, fostering innovation and improving overall production processes. Additionally, XPS's capabilities pave the way for future advancements in simulation technology within the industry, ensuring that teams remain at the forefront of pharmaceutical research and development.

What is GROMACS?

GROMACS is a powerful open-source software suite designed for high-performance molecular dynamics and output analysis. This versatile tool can simulate the Newtonian equations of motion for systems comprising anywhere from hundreds to millions of particles, with a strong focus on materials modeling, biomolecular simulations, and particle-based systems. While GROMACS is primarily tailored for biochemical molecules such as proteins, lipids, and nucleic acids—which often possess intricate bonded interactions—its exceptional speed in handling nonbonded interactions makes it advantageous for exploring non-biological systems, like polymers. The software adeptly models particle ensembles in a variety of states, including liquid, solid, and gas, and supports a wide range of molecular dynamics workflows, spanning from basic energy minimization and equilibration to comprehensive production simulations and trajectory analyses. As GROMACS develops, it continually integrates new features and improvements that expand its utility across various scientific fields, thereby enhancing researchers' ability to conduct complex simulations. This adaptability ensures that GROMACS remains a valuable resource for scientists exploring both biological and material systems.

Media

Media

Integrations Supported

Additional information not provided

Integrations Supported

Additional information not provided

API Availability

Has API

API Availability

Has API

Pricing Information

Pricing not provided.
Free Trial Offered?
Free Version

Pricing Information

Free
Free Trial Offered?
Free Version

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Company Facts

Organization Name

InSilicoTrials

Date Founded

2016

Company Location

United States

Company Website

insilicotrials.com/xps/

Company Facts

Organization Name

GROMACS

Company Location

United States

Company Website

www.gromacs.org

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