Matt

Founder @ourofoundation for the innovation economy. Founding engineer @ Matter42. Materials discovery (rare-earth-free permanent magnets, 2D, superconductors).

[Matt @mmoderwell]

The D in DFT.

Experimenting with an interactive 3D electron density visualization. Pipeline does a quick SCF run to get electron density, then uses marching cubes to render isosurfaces at any chosen density level.

Right now it just shows one level of density at a time so you can easily see core and valence electrons independently, but working on a full density cloud view too.

I'm thinking it's possible to build an intuition from this view that will put humans back in the materials discovery loop.

[Matt @mmoderwell]

Great hike at Stanford Dish. Amazing views, the freshest air.

I haven’t had the chance to explore astro yet but feeling the awe of studying the Universe this way.

[Matt @mmoderwell]

@seanf1orez Thank you brotha

[Matt @mmoderwell]

IDE for scientific discovery

[Matt @mmoderwell]

For materials science researchers:

You can now ask us to host your model, code, or algorithm on Ouro. Send a repo or source code and we'll do the rest.

You shouldn’t need to be a software or infra engineers for others to use your work.

ouro[dot]foundation/host

[Matt @mmoderwell]

@protosphinx Will be following! @gp_0013 and I are doing the same for rare-earth-free permanent magnets

[Matt @mmoderwell]

@seanf1orez We should start our own mini lab

[Matt @mmoderwell]

Micromagnetics as a service

[Matt @mmoderwell]

Anyone can share APIs to Ouro and charge per second.

1. Host on @modal
2. Figure out how much it costs you to run
3. Add a little on top
4. Profit

Join one of the open science teams and find a community of people to build on it.

[Matt @mmoderwell]

@gp_0013 So much alpha in optimizing this stuff. DFT is already expensive, let’s not make it worse with bad code.

[Matt @mmoderwell]

@gp_0013 @sfcompute Have a look and you'll see what I mean
https://t.co/rhxhU1CIT8

[Matt @mmoderwell]

New .cube viewer on Ouro. Explore 3D or 2D slices of charge density, spin density, bonding (deformation) density, and orbitals.

Heavily inspired by @gp_0013's work visualizing electron (+spin) density and s/o his latest post with @sfcompute, the blog aesthetic is beautiful.

[Matt @mmoderwell]

@Melletenmoon Had the team work on it! Could use your help stress testing. Upload an .extxyz or .traj file and see how it looks for your data. Let me know, thanks!

[Matt @mmoderwell]

The better you can visualize data the better you can understand it.

So new CIF and trajectory viewers on Ouro.

What is human-in-the-loop if not someone looking at the data and intuitively deciding what to do next.

[Matt @mmoderwell]

@muhcabe Blue boy

[Matt @mmoderwell]

@dptru10 RIP Crystal Toolkit

[Matt @mmoderwell]

We're looking into superconductors, permanent magnets, 2D materials, thermoelectrics, and more on Ouro.

Come check it out, maybe share what you're working on.

Here's one of my favorite crystals our magnet team has found (because it's pretty, not predicted to be very good though) https://t.co/ynnou3ix4t

[Matt @mmoderwell]

You’re looking at something sacred

[will @gp_0013]

sometimes the search for helpful visual aids just leads to pretty “stuff”

cathedrals everywhere still

[Matt @mmoderwell]

@wgm752 Yooo congrats! 🥳

[Matt @mmoderwell]

@Andrew_S_Rosen @namankatyal14 Did manage it eventually 🙌 density visuals coming soon

[Matt @mmoderwell]

Studying gadolinium tonight, trying to understand its potential as a strong permanent magnet.

Tricky SCF failed to converge after 132 minutes of compute 🥲