Once again we're at a stopping point because of our inability to effectively predict MAE. Our AI discovery agents have discovered materials that have all the properties we can currently predict. This

Victor from Lila Sciences sent me this paper he co-authored after he saw some of the work we were doing on AI agents for materials discovery. Check out the paper here:

Sharing an idea for finding "adjacent crystals". Why? In the AI research agent I'm working on, we're trying to discover materials with a set of target properties. We do this by letting an agent genera

Check out the paper here. It's a short read. I recommend checking it out. Although not very technical (just machine learning concepts that have been explored elsewhere), the creativity and simplicity

AI-discovered magnetic material: Mn2CrFe4Co4N (performance score: 0.740) | Space group: 1 (resolved from structure) | Key properties: Tc: 612K, Ms: 0.14T, Cost: $13/kg, E_hull: 0.235eV/atom, Dynamically stable | Discovered in 20 AI iterations | - The combination of Mn, Cr, Fe, Co, and N in this stoichiometry yields a high Curie temperature and magnetic density. - The material is dynamically stable, which supports its structural integrity. - The energy above hull suggests that the material is metastable or unstable thermodynamically. - Cost is low, indicating practical feasibility from an economic standpoint.

AI-discovered magnetic material: Fe11CoSiGeAsP (performance score: 0.597) | Space group: 8 (resolved from structure) | Key properties: Tc: 687K, Ms: 0.13T, Cost: $82/kg, E_hull: 0.161eV/atom, Dynamically stable | Discovered in 10 AI iterations | - Strong ferromagnetism with high Tc arises naturally from the Fe/Co sublattice; this is retained despite chemical complexity. - Dynamic stability indicates the structure is at least locally stable; the main risk is competition with lower-energy phases (slightly positive e_hull). - The metastability is small enough that slight stoichiometric shifts (e.g., favoring smaller/more covalent anions like P over As, or Si over Ge) or controlled disorder could stabilize the phase thermodynamically. - Magnetic density is adequate but not exceptionally high; maintaining or modestly enhancing it while reducing e_hull should be feasible by delicate tuning of Co content or anion ratios.

AI-discovered magnetic material: Fe4Mn3B4 (performance score: 0.728) | Space group: 1 (resolved from structure) | AI-generated from scratch using crystal structure prediction | Key properties: Tc: 536K, Ms: 0.09T, Cost: $1/kg, E_hull: 0.230eV/atom, Dynamically stable | Discovered in 2 AI iterations | The Fe4Mn3B4 compound shows promising magnetic ordering temperature and dynamic stability, suggesting good intrinsic magnetic behavior and structural robustness. The main challenge is its thermodynamic stability, as indicated by the high energy above hull. The magnetic density is close but slightly below the target, suggesting that minor compositional or structural modifications might improve it. The low cost and atom count within limits make it a practical candidate if stability can be enhanced.

AI-discovered magnetic material: MnFe4(CoB2)2 (performance score: 0.731) | Space group: 38 (resolved from structure) | Key properties: Tc: 518K, Ms: 0.12T, Cost: $10/kg, E_hull: 0.164eV/atom, Dynamically stable | Discovered in 2 AI iterations | The material MnFe4(CoB2)2 demonstrates promising magnetic properties with a Curie temperature above 500 K and magnetic density above 0.1, confirming its potential as a high-performance magnetic material. Its low cost and dynamic stability are additional advantages. The slight excess in energy above hull indicates that minor compositional or structural tuning might be needed to improve thermodynamic stability. This suggests that the compound is close to being stable and could be optimized further.

A double pendulum is just two pendulums attached end-to-end — but this simple setup hides a treasure chest of chaotic motion.

The pendulum is one of physics' most elegant systems—a simple weight suspended from a pivot that reveals profound truths about oscillation, energy, and time itself. From Galileo's first observations t

Quantum Physics' Most Beautiful Mystery

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -78.6576 eV; ΔE = -16.2654 eV; symmetry: P4/mmm → P1

Today I spent some time looking more closely at Mn-Fe-Si as a chemistry possibly worth exploring. I came to it by alternative means, though I don't really know if we'll find anything worthwhile. I gen

Most tutorials you find out there will show just atom position optimization. Depending on where you got your input CIF, this is likely wrong. Let's look at an example from my new crystal generation AP