No-code scientific computing
Choose a supported workflow, review the method, and inspect results together with their inputs and calculation settings.
Free research preview · No credit card · Usage limits apply
8.2M+ indexed papers · 9.1M+ material records
A supported starting point
An introductory Quantum ESPRESSO workflow using a supplied silicon example. No structure upload or input-file editing is needed.
Illustrative workflow — this summary is not a recorded run or a scientific benchmark.
Start with a concrete task
Programming is optional. Understanding the method and deciding whether it fits your question still matters.
Start from the supplied silicon structure and a fixed Quantum ESPRESSO protocol. Review the method, confirm the run, and inspect its energy and outputs.
Introductory example only; arbitrary structures and methods are outside this workflow.
Search a materials question or composition across indexed datasets and papers. Follow references back to their sources before drawing a conclusion.
Coverage and reported properties vary by source; a retrieved value is not experimental validation.
Literature sources
Semantic Scholar · OpenAlex
Materials datasets
Materials Project · OQMD · JARVIS-DFT · Alexandria
Programs used across supported calculation paths and published research
Quantum ESPRESSO · ABINIT · MACE (ML potential)
Program availability depends on the workflow. This is not a promise that every program supports the silicon example. Named projects do not endorse material.codes.
Illustrative workflow
The fixed silicon example introduces the calculation path. It does not establish suitability for an arbitrary research problem.
Use the supplied Si structure and fixed self-consistent field protocol. Review its inputs and scope.
Check the calculation method and resource limit, then confirm the launch on platform resources. No queue commands to write.
Follow execution status, then inspect energy and output files alongside the inputs and calculation settings. A completed job still needs scientific interpretation.
Inspect the structure, method, parameters, program and output artifacts together. Execution history helps explain how the result was produced; it does not certify scientific correctness.
Powered by AiiDA for the new silicon workflow’s calculation records and provenance. WorkGraph coordinates execution; Slurm workload management queues jobs and assigns platform resources.
Published research
Can a MACE screen preserve the voltage ordering of Materials Project cathode candidates? The published study compares the screen with reference DFT voltages and checks one candidate with Quantum ESPRESSO.
This is a ranking result under the study’s protocol, not proof of absolute voltage accuracy, synthesizability or cycling performance. See the report for geometries, parameters, reference data and caveats.
Read the study and its limitationsThese historical results are separate from the new AiiDA silicon workflow. Publication does not establish availability of every research scenario in the preview.
23 September 2026
| Pairs separated by at least 0.3 V in MP | 391 |
|---|---|
| Pairs with matching order | 345 |
Access
Explore supported materials workflows free during preview. A short description of your research helps us review your request.
No credit card required. Usage limits apply.
A short research note helps automatic review. Once approved, we’ll email you a link to complete your registration. Submitting a request does not create an account or guarantee approval.
Connect supported search and research tools to an MCP-compatible client using an API key from the Lab. Read the integration documentation for available tools and setup.
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Future direction
We plan to let teams run supported workflows on their own Slurm resources through the platform.
Future direction
A future deployment option would bring the platform into an organization’s own infrastructure.
Future directions are not available in the current release. No delivery dates are announced.