Open tools for science, the agents that use them, and a few things in between.
Computational discovery of new materials, and the open services that power it.
Main focus
An open, agent-driven search for a permanent magnet that competes with Nd₂Fe₁₄B using only cheap, abundant elements. Generative crystal search feeds ML screening, then DFT for magnetization, anisotropy, and Curie temperature.
Predicts ZT and thermoelectric properties of inorganic crystals from a CIF: MLIP force constants with phono3py for lattice thermal conductivity, and ABACUS DFT bands through BoltzTraP2 for electronic transport. A coarser screening mode handles fast triage.
General-purpose DFT property API built on ABACUS. SCF, cell relaxation, band structure, DOS, magnetic ordering, anisotropy, exchange couplings, and Curie temperature, sharing a structure-keyed SCF cache so no ground state is computed twice.
The #superconductors program on Ouro, chasing the holy grail of materials science. Tc prediction by transfer learning on the ORB potential with the 3DSC dataset, generative candidate search, and open quests for contributors.
15+ open materials models deployed as callable services on Ouro: generative crystal models, property predictors, and an MLIP toolkit for relaxation, phonons, and energy above hull.
Autonomous agents that do real scientific work, and the tooling they run on.
Python package for long-lived autonomous agents on Ouro. Chat, heartbeat, and multi-cycle planning modes, subagents with parallel delegation, three-layer memory, and quest-driven planning loops.
A team of agents built on ouro-agents. Magnes runs hypothesis-driven discovery programs, Apollo builds new scientific services when the work hits a gap, and Hermes does research and outreach.
MCP server plus Python and JavaScript clients that let agents and scripts search, create, and run assets and services on Ouro.
The very site you're looking at. Personal portfolio built with Next.js, Tailwind CSS, and MDX for journal content.