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We enable companies and scientists to create and tailor innovative materials using a collaborative and comprehensive cloud-based software for materials R&D


​​Atomic, molecular, and rigid body modeling using RMC, stochastic and theoretical optimization, DFT, structure building, and more 



An end-to-end platform for advanced materials research. Fullrmc offers a comprehensive API for state-of-the-art atomic stochastic modeling and optimization enhanced by reinforcement machine learning. With fullrmc, researchers are pushing the boundaries of materials research and synthesis in batteries and energy storage, pharmaceuticals and drug delivery, metallurgy, and more.


Optimized features and functional components. Compiled and parallelized computation core. Comprehensive, high-level, open-sourced Python API providing an instantaneous response to execute model interaction dynamically


Stochastically solve materials' complex properties. Discover and unravel local and global atomic conformations from experimental data sets, whether X-ray (synchrotron) or neutron (spallation source and nuclear reactor). Activate, Add and Remove physical and chemical definitions and constraints


Customize the solution approach down to a single molecule and atom. Simulate materials continuum or isolated systems atomic and molecular configuration. Build a nanoscale model and statistically scale up to a mesoscopic dimension. Compute effective distribution of models’ mixture (e.g., distribution of nanoparticle size)

A license consists of a package bundle, several tokens (CPU), and disk storage. Offers can be customized to fit your needs. Pricing varies by country and allocations. Limited trial time is available upon request. To determine what option works best for you, please contact us for any questions and quotes.

Functional Areas

atomic 3d representation of crystalline

Crystalline and Amorphous Materials

Objective: Understand and optimize the structure of crystalline and amorphous materials used in various applications.

Example: Modeling the atomic structure of amorphous silicon to improve its performance in photovoltaic cells or thin-film transistors.


metal-organic frameworks atomic structur

Metal-Organic Frameworks (MOF)

Objective: Design and optimize MOFs for gas storage, separation, and catalysis by understanding their atomic-scale structure.


Example: Using fullrmc stochastic modeling to understand the disordered regions within MOFs to improve their gas adsorption properties.

pharmaceutical and drugs atomic 3d repre

Pharmaceuticals, Drugs & Biomaterials

Objective: Investigate the atomic structure of biomaterials to improve their biocompatibility and functionality.


Example: Modeling the disordered structure of hydroxyapatite in bone to develop better biomimetic materials for bone grafts and implants.

batteries and energy storage image.jpg

Batteries & Energy Storage Materials

Objective: Enhance the performance and stability of battery components by understanding their atomic structure.

Example: Optimizing the atomic structure of lithium-ion battery cathodes, such as lithium-rich layered oxides, to improve capacity and cycle life.

Atomic dense particles. Draw multiple pa

Nanoparticles and Nanoclusters

Objective: Characterize the atomic structure of nanoparticles to understand their unique properties and improve their performance in various applications.


Example: Investigating the atomic structure of gold nanoparticles to enhance their catalytic activity in chemical reactions.

atomic 3d representation of catalyst mat

Chemicals & Catalysts

Objective: Optimize the atomic structure of catalytic materials to improve their efficiency and selectivity in chemical reactions.


Example: Using ARMC to study the atomic arrangement in amorphous catalysts used in petroleum refining to enhance their performance.

atomic modeling of glass and

Glasses and Ceramics

Objective: Investigate the atomic arrangement in glassy materials to tailor their properties for specific applications.

Example: Studying the structure of borosilicate glass to enhance its thermal and chemical stability for use in laboratory glassware and nuclear waste containment.

Blue Plastic Granules

Polymer and Composite Materials

Objective: Study the atomic arrangement in polymers and composite materials to enhance their mechanical, thermal, and electrical properties.


Example: Modeling the disordered structure of polymer blends to improve their conductivity and flexibility for use in flexible electronics.

Metal Tubes

Metals & Alloys

Objective: Understand the atomic-scale structure of  alloys to develop more durable materials for harsh environments.


Example: Investigating the atomic structure of amorphous metal alloys to improve their resistance to corrosion in marine and industrial settings.

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