@ mmoderwell

I found an issue that occasionally shows up when relaxing materials generated by MatterGen. Usually, all the CIFs generated by MatterGen don't include any symmetry information. This doesn't mean there

5mo

Crowd-sourced rare-earth-free magnet discovery

That's the mission here. The process is pretty simple. Generate magnet candidate -> find out if it's a good candidate -> rinse and repeat. Anyone can contribute. It's a numbers game, so the more peopl

5mo

Building a magnetocrystalline anisotropy energy model, attempt 2

Far more successful this time! I've been chasing a model for MAE prediction for probably 6 months with very little progress. Coming to materials science with my background, DFT was always something ju

5mo

Phase-diagram and energy-above-hull endpoint announcement

Try it with your own structures here:

New generative models for inorganic materials design on Ouro

This week I added two new services for crystal (CIF) generation. I took some time to test out Modal and it turns out it was exactly what I've been looking for. Many of these models are GPU intensive a

Route use from Ouro's Python SDK

Finally got to adding route and service functionalities to the Python SDK. Previously, users could make simple HTTP request to use the Water layer. Now, it should be much more user friendly. To get st

Accelerating the calculation of electron-phonon coupling strength with machine learning

Came across this workflow researching some permanent magnet work. I haven't fully explored the code or how much this work will help, but sharing here to reference later because stuff is hard to find o

I get the sense that the earlier versions of language models used to be far more creative, dare I say more human. Before all of the RLHF, these models were pure creations of the collective's footprint

Philosophical conversations with Claude

I'm thinking about what Tesla said. He understood his human brain as merely a receiver. Maybe your neural network is the same way.

The mind as a receiver

Nikola Tesla famously stated, "My brain is only a receiver, in the Universe there is a core from which we obtain knowledge, strength, and inspiration." This suggests that Tesla believed his brain was

Why the DOS-slope at the Fermi level matters for thermoelectrics

Came across this idea when I was doing some research on what we can do with the Hamiltonian of a material. Turns out there's signal for determining what a good thermoelectric material is in its densit

Dealing with the challenges of tetrataenite formation

Ignore the woo-woo language if you like. I think there's a good idea here from Claude Opus. Unfortunately it would be hard for our small team to test as the hardware would be extremely expensive. Chec

What can we do with cheap Hamiltonians

We've been looking at HamGNN recently and its ability to predict the Hamiltonian of any crystal quickly via GNN. Orders of magnitude faster than traditional DFT. Currently, only a spin-independent uni

Notes from A Universal Spin-Orbit-Coupled Hamiltonian Model

I came to this paper looking for a way to move beyond using a MLIP model's latent space as a feature vector to represent a material in a computational inexpensive way.

Building a magnetocrystalline anisotropy energy model, attempt 1

Like our work on Curie temperature, the effort here is to build a machine learning model that can take a crystal structure and predict its magnetocrystalline anisotropy energy. Relevant for permanent

Diving into the Novamag database

Working on cleaning the data we have available and seeing what we've got for a MAE prediction model. This resource was nice and had all the raw files uploaded so that you can process them yourself and

Will the Fed cut rates in June?

We've heard the government talking recently about "growing our way out" of the debt we're in. https://x.com/SecScottBessent/status/1925910800394232082 No one really knows what "growing our way out" me

Diving deeper into the NovoMag database

Also known as the Magnetic Materials Database. I came to this database looking for magnetocrystalline anisotropy energy data for permanent magnet design. After scraping the data from the app, which is

Interesting papers on permanent magnet design

Came across this dataset of thermolectric data while searching for some permanent magnet data. They use LLMs to parse papers and extract a structured database. https://arxiv.org/abs/2501.00564 From th