AI-guided materials discovery, grounded in physics.
MatterAlchemy's Aether helps R&D teams define a challenge, generate and screen candidate structures, and prioritize what to test next — with every result labeled by evidence level.
Material discovery is still slowed by manual, document-driven cycles. Promising candidates can take years to move from hypothesis to a validated material, and failed experiments often take institutional knowledge with them. In the race for electrification, trial-and-error alone is no longer a viable strategy.
The Aether Solution
Digitizing R&D. From computational prediction to experimental validation.
Aether is a predictive co-pilot that compresses early-stage discovery. It helps teams screen candidate structures, prioritize experiments, and preserve organizational memory — while clearly separating predicted, computationally validated, and experimentally validated results.
Our Vision
Aether is building the digital foundation for the next industrial revolution. We are transforming the physical world of materials into a scalable, generative digital data stream.
From autonomous discovery to enterprise-grade informatics, we're empowering the teams building the future of energy, mobility, and aerospace.
Materials Informatics Platform
🤖
Predictive Co-Pilot
An AI-guided assistant that forecasts properties and thermodynamic stability, helping teams prioritize experiments and reduce avoidable physical iterations.
🧬
Materials Informatics
Leveraging generative models to navigate the combinatorial space of chemistry, with transparent confidence estimates for every candidate.
🌐
Materials Knowledge Center
A single source of truth for your R&D data, preserving institutional memory and eliminating fragmented research silos.
📦
High-Throughput Design
Digitally generate and screen batches of candidate crystal structures for rapid material discovery.
📊
Digital Twin Visualization
Interactive 3D structural analysis for prioritized candidates, featuring full API connectivity to existing enterprise systems (LIMS/ELN).
⚡
Digital R&D Foundation
A cloud-native infrastructure built to modernize legacy discovery workflows through data standardization and automation.
Innovation Verticals
1
Next-Gen Energy Storage
Harnessing materials informatics to explore stable Li-O structures. Identifying candidate electrolytes and catalysts to address cycle-life degradation in the post-Li-ion era.
2
Supply Chain Sovereignty
Digitizing the search for earth-abundant alternatives. Exploring Fe-N phases to reduce Rare Earth (REE) dependence and geopolitical risk.
3
Closed-Loop Validation
Bridging AI and the laboratory. Screening large candidate spaces with stability filters such as Ehull, then ranking structures for experimental validation.
Discovery Showcase
Demo Sample
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Parameter Setup
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AI Inference
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Stability Analysis
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Final Candidates
Evidence, clearly labeled
Aether connects candidate generation, physics-based screening, and experiment planning in one workflow. Every result carries an evidence status, so teams know what is known and what still needs to be tested.
1
Predicted
Model-generated hypothesis. Useful for exploration; not yet tested.
2
Computationally validated
Passed physics-based screening such as stability filters. Not experimentally confirmed.
3
Experimentally validated
Confirmed by laboratory work, performed with qualified partners as agreed.
"Aether keeps the evidence trail attached to every candidate, from first prediction to lab result."
How Aether Changes the Workflow
Target Metric
Traditional Approach
Aether MaaS
Discovery Cycles
Long, sequential experimental loops
Parallel candidate generation and computational screening
Physical Iterations
High-cost trial-and-error
Prioritized experiments based on evidence status
Data Integrity
Fragmented spreadsheets
Unified Organizational Memory
Sourcing Risk
Supply chain REE vulnerability
AI-guided substitution exploration
Digital Foundry
Isolated R&D Silos
Shared, searchable discovery memory
Material-as-a-Service
The Digital Foundation for Discovery to Delivery
TIER 1
Predictive Co-Pilot
Materials Informatics SaaS
Self-serve access via multi-tenant subdomains. Ingest legacy data and run autonomous structural inferences on Azure ML.
✓ Compute-based pricing
✓ Data standardization / Source of Truth
✓ Ehull stability filtering
✓ API connectivity to LIMS/ELN
TIER 2
Digital Foundry
Internal R&D / IP Licensing
We develop internal discovery programs (e.g. Li-O/Fe-N). Clients can license computationally evaluated structural candidates.
✓ Upfront licensing + royalties
✓ Computationally evaluated structural candidates
✓ Institutional memory preservation
✓ Ranked for experimental validation
TIER 3
Enterprise JDAs
Joint Development Partner
Deep collaboration using custom adapters fine-tuned on proprietary client (often failed) experimental data.
✓ Proprietary model fine-tuning
✓ Secure, isolated digital environment
✓ Milestone-based strategic payouts
✓ Multi-year strategic roadmap
Discovery Workflow
From challenge definition to experimental validation
Evidence status
Predicted
Model-generated hypothesis, not yet tested.
Computationally validated
Passed physics-based screening; not experimentally confirmed.
Experimentally validated
Confirmed by laboratory work, when that work is in scope.
1
Define
Set target properties, elements, and constraints.
Input
2
Generate
Generate candidate crystal structures from the defined search space.
Predicted
3
Screen
Apply physics-based filters such as Ehull.
Computationally validated
4
Validate
Review stability and feasibility; lab validation where available.
Lab-dependent
5
Rank
Rank candidates by stability, synthesizability, and constraints.
Computationally validated
6
Learn
Feed results back into the model and refine the next round.
Feedback
Computational results are provided to prioritize experiments. They must be experimentally validated before industrial use.
Compliance & ESG Strategy
De-Risking the Supply Chain through Digital Innovation
🌍
Strategic Sovereignty
As global regulations tighten on rare earth mining and "conflict minerals," the ability to design alternatives digitally is a critical competitive advantage.
Aether enables organizations to automate the search for earth-abundant alternatives, providing quantifiable ESG metrics and supply chain predictability from the earliest stages of R&D.
✓
Eliminate Rare Earth Vulnerability
Discover Fe-N alternatives to high-HHI magnets
✓
Geopolitical Risk Mitigation
Transition to domestic, earth-abundant sourcing
✓
Sustainability Storytelling
Quantifiable ESG metrics for stakeholders
✓
Cost Predictability
Stable pricing, no commodity volatility
Recognitions & Updates
Presenting our work within the scientific and research community
Recognition
ICMS 2026 — Certificate of Participation
7th International Conference on Molecular Simulation · IISc Bengaluru
Girish M
Presented a talk/poster at the 7th International Conference on Molecular Simulation, held at the Indian Institute of Science, Bengaluru.
Built by domain experts with deep roots in AI infrastructure and enterprise software
Hemanth Shetty
CEO & Co-founder
Brings deep expertise in building scalable AI/ML platforms, previously at Microsoft driving enterprise-grade software solutions. Holds an MS in Computer Science from Northeastern University with prior experience at VMware, New York Life Insurance Labs, and Tesco. Leads product vision, fundraising, and go-to-market strategy.
Over a decade of software engineering experience across enterprise, government, and open-source ecosystems. Built OpenProject integrations, developed microservices at Cisco (WebEx Teams), contributed to the TMT observatory project at IIA, and TA at IISc. Architects the Aether platform and leads engineering delivery.