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SciDPD at a glance

Molecular Dynamics (MD) and Dissipative Particle Dynamics (DPD) are two simulation techniques that integrate Newton's laws of motion for a set of particles interacting via specified forces and generate trajectories from which the observable properties of the set can be estimated. The techniques differ in their specification of the force laws, but are otherwise quite similar. MD aims to model the inter-atomic potentials as accurately as possible, and so generate detailed information on the molecular interactions of complex systems such as proteins and lipids in aqueous solution. DPD by contrast ignores the atomic-level structure of molecules, and uses a coarse-grained set of force laws that are found to satisfy the hydrodynamic behavior of fluids. The force laws in DPD are all short-ranged and have no hard-core repulsion at zero separation, thus, they allow two particles to be at zero separation. This feature makes DPD suitable mainly for fluid simulations, as the representation of the strong repulsion present in the solid phase is problematic. Applications of Dissipative Particle Dynamics include phase behavior of complex liquids, micelle formation, morphology prediction of bulk polymers, drug release phenomena and many more.

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A PDF datasheet for SciDPD is available here

SciDPD in MAPS^®

The Materials and Processes Simulations (MAPS^®) platform is a user friendly environment for molecular modeling and simulations. Its plug-in based architecture enables scientists to use the best technology for a given problem. The MAPS^® platform runs on Linux and Windows^® XP operating systems. MAPS^® includes a series of tools enabling the construction of molecular systems, finite and periodic, mesoscale systems, 3D visualization and other utilities. The SciDPD user can quickly create a mesoscale model, using MAPS^®' Mesoscale builder, and set up a sophisticated Dissipative Particle Dynamics calculation using the SciDPD graphical user interface. Once the calculation is carried out the user can analyze the results, visualize density isosurfaces using the analysis and visualization tools implemented in MAPS^®. MAPS^®' native client-server architecture allows to use the best computational resources available and run SciDPD simulations on numerous operating systems. Finally, efficient interaction with office productivity software allows to produce quickly presentations and reports.

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MAPS 3.1 patch release
We are happy to inform you that MAPS 3.1^® patch is ready for download

Whats new in MAPS 3.1
MAPS 3.1^® introduce the Transition State Locator which is a stand-alone module which can drive transition state searches using Abinit, MNDO and Turbomole.

MAPS 3.0 has been released
A new major version of the Materials and Processing Simulation Platform MAPS^® has been released recently.