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Apex
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AI for materials & quantum

Materials & quantum. Done by the model.

Aether spans DFT, post-Hartree-Fock, periodic-boundary methods and classical MD — and it knows when to call which. The model is the glue across scales, not a pile of CLI scripts and shared filesystems.

DFT → MD
coupled, in one model
Embedding
methods, native
GPU-first
throughout
The AI, animated

What the model actually computes.

These are the workloads the AI runs in materials & quantum — rendered live in SVG. Each panel is the geometry the model is reasoning about, the physics it solves for, and the validation it lands against measured reality.

01 · Live SVG
Materials discovery — band structure
DFT + ML potential · 10⁶ candidates
02 · Live SVG
Quantum — VQE on 64 qubits
Ground-state E₀ = −74.83 Ha · variational eigensolver
The AI

Aether is the AI doing the materials & quantum work.

Three things to know about the AI underneath every workload on this page. We aren't building a chat surface for your team — we are training a foundation model that plans, runs and reports.

The AI does the discipline

Not a chat interface over your engineers. A foundation model that plans the study, picks the method, runs the agents, validates against measured reality and writes the report. The same shape an experienced practitioner would follow — done by the model.

One model, your context

We don't ship a sibling model per industry. The same Aether weights serve every discipline, but the agents on top are trained against your standards, your historical data and your regulatory posture.

Reality is the regulariser

We train on simulation, instrument and design data — not scraped text. The model gets better the more reality it touches. Reality is what tells it when it's wrong.

What the AI runs here

The work, done by Aether.

These are the workloads Aether already runs in materials & quantum. Not a wish-list. Each ships with validated benchmarks and traces a senior engineer can read end-to-end.

  • 01

    Catalysis

    Reaction-path search, transition-state estimation, microkinetic modelling. Periodic and cluster methods, automatically selected.

  • 02

    Battery materials

    Solid-electrolyte transport, intercalation energetics, dendrite formation, electrolyte decomposition pathways.

  • 03

    Polymers & composites

    Coarse-grained MD calibrated to atomistic; mechanical properties from structure; failure prediction at processing temperatures.

  • 04

    Photovoltaics

    Band-structure prediction, defect-tolerant search, perovskite phase stability and degradation.

  • 05

    Crystal structure

    Polymorph search, co-crystal screening, solubility, melting-point prediction.

  • 06

    Quantum simulation

    Periodic and finite-cluster methods with embedding for the question asked — driven by the same model that handles fluid flow.

AI for materials & quantum

“We are building the AI that does materials & quantum — not the one that talks about it. Aether doesn't ask your engineers to drive its solvers. It runs the work, validates the artefact and writes the memo.”

What it replaces

The stack today.

The typical stack in materials & quantum — a half-dozen seven-figure renewals stitched together with internal glue code. We replace the spine; we don't touch the niches that work.

VASP
Gaussian
Q-Chem
ORCA
MD packages
Quantum ESPRESSO
ASE scripts
The specialists at play

The agents in the mix.

Aether coordinates these specialist agents for materials & quantum. Each is independently deployable, but the coordination — and the foundation model underneath — is what makes them more than a folder of scripts.

DFTpost-HFMDembeddingcrystaldefect searchtransporttransition state
Regulatory & boundary

How we ship into regulated materials & quantum.

The pieces that matter to procurement, security review and the regulator. We ship into industries where the boundary is real and the audit is unforgiving.

  • ITAR-clean compartments for defence and aerospace work

  • Export-control gating on agent capabilities by jurisdiction

  • Sovereign / air-gapped deployments — zero outbound traffic

  • Reproducible runs signed by model-version hash for design-review

Other industries

The AI is also running here.

A foundation model that serves twenty-two industries today. The same weights, different agents, different pilot patterns. Browse the ones nearest yours.

FAQ

Questions about materials & quantum.

  • What does Aether replace in materials & quantum?

    The incumbent stack here — VASP, Gaussian, Q-Chem, ORCA and more — collapses into one model and one project file, with Aether for engineering doing the work under one safety story.

  • What outcomes should we expect?

    DFT → MD (coupled, in one model); Embedding (methods, native); GPU-first (throughout) — scoped to your workload and measured against your own acceptance criteria.

  • How does a pilot work?

    Three to eight weeks against a workload and a win condition you co-author. We run alongside your incumbent stack on real cases; if we aren't better on the metric by quarter end, the rest of the quarter is on us.

  • Can it deploy inside our boundary?

    Yes — managed, in your VPC, on-prem or fully air-gapped on Aether Cloud, with the audit trail and provenance the regulated parts of this work require.

The AI is ready for materials & quantum.

Send us the workload that hurts. We'll come back with a scoped pilot — three to eight weeks, win condition co-authored. If we aren't better on the metric by quarter end, the rest of the quarter is on us.