CurieOS for chemistry R&D
Use atomistic simulation and property prediction to compare material candidates. Keep structures, conditions, computed results, and measurements connected as teams choose what to validate.
Workflows
Built for computational chemists, R&D leaders, and CROs working on catalysts, coolants, polymers, and other advanced materials.
Run Orb and property prediction across a candidate set, then rank it against your targets — boiling point, dielectric strength, stability.
Survey the literature and your internal reports in chat, and carry the findings straight into the next screening run.
Build an experiment tracker that links each sample and measurement back to the simulation that proposed it.
CurieOS doesn't replace lab validation. It tells you which candidates are worth testing first.
VASP 6.6
Quantum ESPRESSO
LAMMPSXYZ · CDXML · CDX
BASF ECMS licensed CurieOS for catalyst R&D in automotive emissions (August 2026).
CurieOS science and engineering tools
Orb is Orbital Industries' atomistic simulation model. It runs 100,000-atom systems on one GPU and is 10× faster than Microsoft and Meta alternatives.
Orb benchmark figures · method details available from Orbital Industries.
Chemistry teams also use the rest of the platform: chat with calculation traces, apps built through chat, company context, and enterprise security. See the full platform
Supported software and data
CurieOS for chemistry R&D works with atomistic simulation codes (VASP 6.6, Quantum ESPRESSO, LAMMPS, ASE, GPU4PySCF / PySCF and Packmol), Orbital Industries’ Orb force fields and QSPR property-prediction ensemble, chemistry toolkits (RDKit, EPAM Indigo and ChemDraw CDXML / CDX files), structure and synthesis databases (Materials Project, MofasaDB / MOFUX and ZeoSyn), and MolPort for sourcing.
Orb force fieldsVASP 6.6Quantum ESPRESSOLAMMPS
ASE
GPU4PySCF / PySCFOrbital Industries QSPR ensemble
RDKit
Materials ProjectMofasaDB / MOFUX
MolPortNotion, Google Workspace (Drive, Sheets, Slides, Gmail, Calendar), Microsoft SharePoint and OneDrive, Slack, Granola, GitHub, Linear, Weights & Biases, Salesforce, LinkedIn, Apollo, and Exa.
Built by Orbital Industries
What is CurieOS for chemistry R&D?
CurieOS is an AI operating system for science and engineering teams, built by Orbital Industries. Chemistry R&D teams use it to run atomistic simulation and property prediction across candidate materials, then keep structures, conditions, predictions, and measurements connected as they decide what to synthesize.
Which simulation software does CurieOS work with for chemistry?
CurieOS works with VASP 6.6, ASE, Packmol, and GPU4PySCF / PySCF, alongside Orbital Industries’ own Orb force fields and QSPR property-prediction ensemble. Chemistry toolkits include RDKit, EPAM Indigo, and ChemDraw CDXML / CDX files.
What is Orb?
Orb is Orbital Industries’ AI-accelerated atomistic simulation model, available only in CurieOS. It runs 100,000-atom systems on one GPU and is 10× faster than Microsoft and Meta alternatives, based on Orbital Industries’ internal benchmarks.
Does CurieOS replace lab validation?
No. CurieOS ranks candidates so teams know which are worth testing first. Computational candidates still need experimental confirmation.
How is CurieOS different from ChatGPT or Claude?
General-purpose assistants return text. CurieOS works with scientific file formats and tools, shows results as visualizations, and lets you step through the inputs, equations, and intermediate values behind each calculation.
Connected across the lifecycle
A material screened by one team can be evaluated against hardware and deployment constraints by the next, without re-characterization or a six-month handoff. Orbital Industries runs its own programs this way.
Tell us about the files, tools, and repeatable work your team wants to bring into one operating system.
Talk to our team