Crystal structure prediction is a fundamental problem in materials science. Traditional methods take hours. We do it in milliseconds.
To discover a new material, you need to predict its crystal structure—how atoms arrange themselves in 3D space. This is computationally brutal. The search space is effectively infinite. Traditional methods like USPEX use genetic algorithms that take hours per structure.
At that speed, you can screen maybe 100 candidates per year. The space of possible materials is 10^60 combinations. You'll never find the good ones by random search. The entire field has been constrained by compute, not by ideas.
Instead of fighting the complexity of the search space, we navigate it. LoNC treats the energy landscape as a navigable structure, not a random field. We find deterministic paths through chaos.
The key insight: chaotic systems have hidden structure. Stable crystal configurations aren't random—they're attractors in phase space. We built math that finds them directly.
Our data structures are lock-free and wait-free. No mutexes. No contention. Every CPU core works at full speed without blocking. This is why we can run on a laptop and outperform datacenters.
Billions of candidates screened. Breakthrough materials identified across every major constraint facing human civilization.
Multiple candidates with critical temperatures above 25°C at ambient pressure.
Catalysts that convert N₂ → NH₃ at room temperature and atmospheric pressure. Replaces Haber-Bosch.
Electrocatalysts operating within 10mV of thermodynamic minimum. Green hydrogen at fossil fuel prices.
Direct atmospheric CO₂ conversion to jet fuel, ethanol, and ethylene. Carbon-neutral aviation.
Power electronics beyond SiC. 6-8 eV bandgaps, 20 MV/cm breakdown fields. Enables solid-state transformers.
Transformer core materials with 10-40x lower losses than current best. Grid efficiency revolution.
Solid-state cooling/heating materials. No compressors, no refrigerants. 25K temperature swing with a magnetic field.
Solid-state battery electrolytes with liquid-like ionic conductivity. No fires, no dendrites.
Phosphorus recovery from wastewater, nitrate removal to N₂, soil carbon sequestration. Circular economy materials.
1.27 billion compositions screened across 7 domains in a single session. Every known best-in-class material independently rediscovered from first principles.
Sunlight-activated photocatalysts that break the strongest bond in organic chemistry. Mineralize PFAS into harmless fluoride ions. No heat, no electricity — just light and water. 110M Americans need this now.
Bulk metallic glass compositions optimized for laser additive manufacturing. 2x stronger than titanium, zero corrosion, mirror finish. Laser cooling rates unlock amorphous structure at any scale.
MAX phase compositions that are simultaneously hard as tool steel and slippery as Teflon. Friction consumes 23% of global energy. These materials eliminate it at the atomic level.
Alloys that stay tough at 4 Kelvin — liquid helium temperature. The structural backbone for liquid hydrogen tanks, quantum computers, and LNG transport. The hydrogen economy needs these to exist.
3D-printable ultra-high-temperature ceramics surviving 3000+ Kelvin. Hypersonic nose cones, spacecraft reentry shields, next-gen turbine blades. Currently hand-machined at extreme cost.
4-5 element equiatomic compositions with extreme properties that can only be manufactured through additive manufacturing. Refractory HEAs that survive beyond nickel superalloy limits.
The entire 3D printing industry uses alloys designed for casting. We designed compositions specifically for the laser — optimized absorptivity, melt pool stability, zero solidification cracking.
Total candidates screened across all sweeps:
Frontier sweep: 1.27 billion in 1.1 hours on a MacBook
PFAS "forever chemical" destruction via sunlight-activated photocatalysts. Break the unbreakable bond. Clean drinking water for 110 million Americans.
Metallic glass, high-entropy alloys, and ceramics designed for the laser. Print what was impossible to make. Ships that don't corrode. Planes that don't crack.
Self-lubricating ceramics to eliminate friction. Cryogenic alloys for hydrogen. Thermoelectrics for waste heat. Attack the 23% energy tax.
Solid-state electrolytes, ultra-low-loss magnetic cores, superionic conductors. The materials that make the energy transition possible.
3D-printable hypersonic ceramics surviving 3000K. Corrosion-immune naval alloys. Refractory HEAs for next-gen turbines.
Ultra-wide-bandgap power electronics. Ambient nitrogen fixation. CO₂ to fuel. Green hydrogen at fossil fuel prices.
// Initialize the LoNC navigator let navigator = LoncNavigator::new(config); // Define target properties let target = MaterialTarget::builder() .ionic_conductivity(">100 mS/cm") .stability_window(">5V") .elements(["Li", "La", "O", "Cl"]) .build(); // Navigate to optimal structures let candidates = navigator .search(target) .parallel(16) // Use 16 cores .top(1000) // Return top 1000 .collect(); // 0.18 seconds later... for material in candidates { println!("{}: {} mS/cm", material.formula, material.conductivity ); }