LAMMPS
LAMMPS, the Large-scale Atomic/Molecular Massively Parallel Simulator, is a classical molecular dynamics code with a focus on materials modeling. It models ensembles of particles in liquid, solid, or gaseous states and can simulate atomic, polymeric, biological, solid-state, granular, coarse-grained, mesoscopic, or macroscopic systems using many interatomic potentials, force fields, and boundary conditions. LAMMPS can model systems in two or three dimensions, from only a few particles up to billions, and is designed to run efficiently on parallel computers while remaining easy to extend and modify. It includes potentials for solid-state materials such as metals and semiconductors, soft matter such as biomolecules and polymers, and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generally, as a parallel particle simulator at atomic, meso, or continuum scale.
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XPS (eXtended Particle Simulations)
XPS, or eXtended Particle Simulations, is a state-of-the-art Discrete Element Method simulation software developed by RCPE and distributed globally by InSilicoTrials for high-fidelity particle-based process simulation. Designed specifically for pharmaceutical applications, XPS accurately predicts powder and granular behavior, helping teams better understand, predict, and control pharmaceutical unit operations. It relies on advanced contact models to describe the flow behavior of granular materials and uses massively parallel algorithms optimized for modern GPUs to accelerate simulations, including simulations with up to 100 million particles. XPS helps pharmaceutical engineers assess process configurations in unprecedented detail, explore decision space virtually, reduce costly and time-consuming physical experiments, and support data-driven process development.
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Yade
Yade is an extensible open source framework for discrete numerical models, focused on the Discrete Element Method. Its computation parts are written in C++ using a flexible object model that allows independent implementation of new algorithms and interfaces, while Python is used for rapid and concise scene construction, simulation control, postprocessing, and debugging. Yade is designed for researchers and engineers who need to create, run, inspect, modify, and extend particle-based simulations through scripts, interactive commands, graphical tools, and reusable simulation components. Simulations can be built from specialized generators or constructed directly with Python scripts, giving users flexibility for developing custom models, importing geometries, reusing code, and controlling the full simulation loop. It represents each simulation as a scene containing bodies, interactions, and resultant forces, with bodies defined by geometry, material properties, state variables, etc.
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LIGGGHTS
LIGGGHTS is an open source Discrete Element Method particle simulation tool for modeling particulate materials, with a focus on industrial granular and granular heat-transfer simulations. LIGGGHTS stands for “LAMMPS improved for general granular and granular heat transfer simulations,” and it builds on the LAMMPS molecular dynamics platform to extend DEM capabilities toward practical industrial applications. It can be used to simulate systems where material behavior emerges from the motion, collision, friction, cohesion, heat transfer, and interaction of individual particles. It is suitable for analyzing powders, grains, bulk solids, particulate flows, packed beds, conveying systems, mixing processes, hopper discharge, material handling, and other granular systems where particle-scale behavior matters. LIGGGHTS is currently used by research institutions and companies worldwide for the simulation of particulate materials, especially where open source flexibility.
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