CuspAI

Research on the record

• 2026-04-23CuspAI open-sources kUPS, a GPU molecular simulation engine built so machine-learned force fields plug straight inLevel 1 · Exists
• 2025-08-05ODAC25, a 60-million-calculation dataset for direct-air-capture sorbents, takes 460 of its MOFs from CuspAI's generatorLevel 3 · Checked against existing evidence

Graded by how far the evidence went, not how good the result is. See the methodology.

Read on AI4S.fyi

• 2026-03-31Aron Walsh: from solving equations to agents that search for materialsInterviewAron Walsh · AI for Science conference, The Alan Turing Institute (Royal Society, London)

Also on the timeline

• 2026-10-27Singapore puts S$150 million into MARVEL-AI, an A*STAR platform that pairs materials AI models with self-driving labs, with CuspAI among its partnersPolicy
• 2026-07-20CuspAI raises a $450M Series B at a $2.6B valuation and pools 45-plus partners' labs, compute and expertise onto its platform as the AI Materials FoundryCapital

People

Only people the AI4S.fyi record has named: in a round, a timeline entry, commentary, an interview or a sourced role. Not the full team.

Funding rounds tracked

• 2026-07-20Series B · $450MconfirmedLed by Kleiner Perkins, NEA · With Bezos Expeditions, Glade Brook Capital Partners, Lux Capital, AMD Ventures, UK Sovereign AI Venture Fund, Tru Arrow Partners, StepStone, Invest-NL, John Doerr · Existing investors Temasek, Basis Set Ventures, Giant Ventures, Touring Capital, Prosus, Phoenix Court, NorthzoneStated use: lab operations in Cambridge, Singapore and the San Francisco Bay Area
• 2025-09-10Series A · $100MconfirmedLed by New Enterprise Associates (NEA), Temasek · With NVentures (NVIDIA), Samsung Ventures, Hyundai Motor Group, Basis Set Ventures, FJ Labs, Giant Ventures, LocalGlobe, Northzone, Prosus Ventures, Tiferes Ventures, Touring Capital, Durk Kingma, Zoubin Ghahramani, Arash Ferdowsi, Thomas Wolf, Victor RiparbelliStated use: growing the team of about 30 and opening offices, with Asia a focus
• 2024-06-18Seed · $30MconfirmedLed by Hoxton Ventures · With Basis Set Ventures, Lightspeed Venture Partners, LocalGlobe, Northzone, Touring Capital, Giant Ventures, FJ Labs, Tiferes Ventures, Zero Prime Ventures, Mehdi Ghissassi, Dorothy ChouStated use: building its materials search platform, starting with carbon capture

Each round links to its line on the funding record, with its source.

Also in Materials and chemistry on the funding board

The other companies the funding board files under the same field, latest round first. A list of what the record tracks, not a ranking or a market map.

• 2026-10-19MATARIASeed · tens of millions of yuanBuilds a multiscale materials model, from atoms to finished parts, that proposes candidates, narrows them with automated DFT and finite-element tools, and is tested by instrumented experiments; composites come first, then semiconductor and infrared materials.
• 2026-10-15HolyvoltVenture round · $45MTrains battery-materials models on 18 years of cell-cycling data from the high-throughput lab it acquired, Wildcat Discovery Technologies, and lets the models choose what the lab makes and cycles next. Its first material is DRX, a cathode family with neither nickel nor cobalt.
• 2026-10-14ScimplifyStrategic round · $25MDevelops manufacturing processes for specialty chemicals and critical materials in its own labs in Bengaluru and Hyderabad, then transfers them to a network of more than 500 partner factories. Its platform, Scinode, runs separate agents for research, manufacturing and quality control, choosing production routes and plants and tracking regulatory requirements.
• 2026-10-13AlbertSeries B · $55MSoftware and AI for chemistry and materials R&D at chemical and consumer-goods companies: it captures experiments, structures the data and lets scientists search and reason over it, suggest formulations and design experiments.
• 2026-10-12Matter MachinePre-Series A · £4MA University of Liverpool spin-out pairing AI prediction with experimental and characterisation expertise to find inorganic crystalline materials, aimed at batteries and catalysts.
• 2026-09-24Soge Intelligent ComputingAngel · tens of millions of yuanAtomistic AI models with long-range interactions, fast parallel simulation and battery device modelling, sold to battery and chemicals firms; spun out of Shanghai Jiao Tong University.

All 17 in this field →