XPS

XPS (eXtended Particle Simulations) is a highly efficient CFD-DEM simulation software developed by the Research Center Pharmaceutical Engineering (RCPE) and commercialized worldwide through an exclusive partnership with InSilicoTrials (IST). Specifically designed for pharmaceutical applications, XPS enables process engineers and scientists to understand, control, and predict fluid-granular processes in pharmaceutical unit operations with unmatched accuracy. By leveraging the Discrete Element Method (DEM) and advanced contact models, XPS delivers detailed insight into bulk material behavior, helping organizations enhance process efficiency and improve product quality.

XPS is targeted at a broad range of industries and organizations, including pharmaceutical manufacturers, universities and academic institutions, food processing companies, and equipment manufacturers. With more than 70% of industrial products manufactured as particulate solids, the ability to simulate and predict granular flows is critical across a wide spectrum of unit operations.

Key Applications

• Tablet Coating: Simulate coating processes across various tablet shapes and complex device geometries, predicting spray drying, coating distribution, coefficient of variation (CoV), spray losses, cycle times, and force distributions related to chipping and twinning.
• Blending and Segregation Analysis: Understand granular material behavior during mixing, optimize charging scenarios, and study the influence of batch mass and operating conditions on blend homogeneity to reduce over-blending risk.
• Fluidized Beds: Model spray-drying and mixing processes involving multiple phases (granular matter, gas, fluid) using a hybrid CPU-GPU CFD-DEM approach coupled with the CFD solver AVL FIRE™, enabling analysis of coating, mixing, and temperature distribution.
• Die Filling
• Drying
• Feeding
• Dry and Wet Granulation
• Screw and Pneumatic Conveyors
• Hot-Melt Extrusion

Key Benefits and Capabilities

• Intuitive and easy-to-use graphical user interface for quick simulation set-up
• Simulation of large and complex particle systems at unparalleled computational speed — at least five times faster than other commercial solutions
• Capable of handling up to 100 million particles on a single GPU
• High flexibility in terms of particle shapes, sizes, and properties, including clumps (multi-spheres) and tablet geometries
• Modeling of cohesive powder flows through integration of advanced contact models
• Full coupling with CFD (Computational Fluid Dynamics) for complex multi-physics phenomena
• Physics models validated specifically for pharmaceutical applications
• Heat exchange and spray modeling (coating and impregnation) modules included
• Comprehensive post-processing tools and support for analyzing simulation results
• Cloud solution available within the XPS portfolio
• Software development practices ISO validated: ISO 90003:2018 Software Quality Management and ISO 9001:2015 Quality Management

Architecture and Technical Specifications

• Optimized to drastically reduce computational demand per time-step and memory consumption
• No need for professional equipment — runs on an ordinary workstation with up to 4 GPUs, one simulation per GPU
• Multiple platforms supported: MS Windows, Linux, and Cloud
• Native CUDA code (Nvidia GPU required)
• DEM/CFD coupling architecture reduces transferred data between DEM and CFD codes, depending only on the number of DEM cells rather than the number of particles
• DEM and CFD codes run on separate computing platforms (CPUs and GPUs), ensuring the performance of each is not affected by the other
• Handling of complex geometries via STL file format

Features and Modules

• Fully developed Graphical User Interface (GUI)
• Handling of complex geometries (STL)
• Handling of many millions of particles
• DEM–CFD coupling to model complex multi-physics phenomena
• Clumps (multi-spheres) and tablet particle shapes
• Heat exchange modeling
• Spray modeling for coating and impregnation
• Post-processing tools and support for analyzing simulation results

SimTabletCoater — Cloud-Based Tablet Coating Simulation

• A dedicated cloud tool developed jointly by RCPE and InSilicoTrials, integrating the GPU-based DEM solver XPS into the InSilicoTrials web platform
• Assists process engineers in selecting ideal operating conditions for process establishment and scale-up
• Enables informed decisions on critical process settings such as spray rate, rotational speed, and coater design
• Features simple inputs, standardized post-processing, automated reporting, and high parallel computational speed
• Designed to shorten product development cycles and significantly reduce time to market

Services Offered

• XPS software package (DEM / DEM-CFD / Cloud)
• Training
• Technical support
• Consulting engineering
• Cloud deployment options

XPS is backed by a peer-reviewed publication record in leading scientific journals, including Chemical Engineering Science, European Journal of Pharmaceutical Sciences, International Journal of Pharmaceutics, and Powder Technology, demonstrating rigorous validation and verification of its simulation platform. The software is distributed globally by InSilicoTrials, with first-level support provided through the same channel, while RCPE continues to lead ongoing development.