Mat3ra.com

Founded 2014

Design material structures and run molecular simulations in the cloud with collaborative research teams

Pricing model

Free Tier, Paid

You can use Mat3ra to design chemical structures, run advanced nanoscale simulations, and build machine learning models in your browser. It integrates standard engines like Quantum ESPRESSO, VASP, and LAMMPS into high-performance cloud computing environments. Materials scientists and chemists can create automated workflows, store compound properties, and analyze crystalline structures collaboratively. You can execute calculations via a web interface, command-line interface, or REST API without configuring complex local server hardware, making it simple to evaluate novel battery electrolytes, catalysts, and experimental materials.

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What Mat3ra.com does

Build crystalline atomic structures in the browser interfaceConfigure simulation input parameters for Quantum ESPRESSO calculationsSubmit high-performance computing jobs to cloud simulation enginesExtract atomic features from electron microscopy data using machine learningExport computed thermodynamic properties and band structuresShare simulation workflows with external research collaboratorsAutomate calculation pipelines using the RESTful APIRun density functional theory calculations using Quantum ESPRESSO and VASPPerform molecular dynamics simulations using LAMMPS and GROMACSDesign crystalline structures and chemical compounds directly in a web browserExecute calculations using cloud high-performance computing clustersAutomate simulation workflows with visual web buildersAccess simulation data through a REST API and command-line interfaceTrain machine learning models on stored material properties

Pricing breakdown

Pricing model: Free tier, Paid

PlanList price

FREE (paid yearly)Free

PRO$36 / mo

PRO (paid yearly)$360 / yr total

Enterprise (paid yearly)$3,600 / yr total

Frequently asked

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What does Mat3ra.com integrate with?−

Quantum ESPRESSO, VASP, LAMMPS, GROMACS, Python/Jupyter, REST API, AWS/Azure Cloud, GitHub, Quantum ESPRESSO for DFT calculations, VASP for electronic structure modeling, LAMMPS for molecular dynamics, GROMACS for biomolecular simulation, Python/Exabyte-API for custom scripts, GitHub for version-controlled models

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Mat3ra, materials science, molecular modeling, Quantum ESPRESSO, VASP, LAMMPS, GROMACS, density functional theory, molecular dynamics, materials simulation, high performance computing, cloud simulations, crystalline structures, chemistry R&D, atomistic modeling