Andrew White

speaker

993 appearances 1 recordings 1 series first heard Jan 2026 last heard 28 Jan

Andrew White’s voice in public audio — every appearance, attributed to the second.

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Recordings per month over the last 12 months — 1 in all, peaking in Jan 2026 with 1.

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And it represents like, I don't know, million CPU hours of compute.

It was, you know, one of the biggest computes that I uh probably the biggest one I've done in my life so far.

Maybe Ether Zero is bigger, but but it w took a lot more work.

Anyway, and and what's the point?

What'd you learn?

All I learned was like what set of hyperparameters reproduce some physical effects of water.

None of it was de novo, right?

And this is the this is the issue with with molecular dynamics and DFT is that um

They don't model the world correctly.

And so we have to invent little stories we tell ourselves about we're like making good inductive biases and then it models the world more correctly.

Like in DFT, you simulate water at three hundred and thirty Kelvin when you want room temperature water.

Is room temperature three hundred thirty Celvin?

No, it's not.

That's a little too hot, right?

And so this is a the issue is that like people just make up these

These these things or like, I don't know, GGA or like Blib or B through lip, all these different like methods people invent are clearly empirical.

And then they bolt it on to DFT and they say, look, it's a first principles method, right?

But actually you made a whole bunch of choices and you know, you you whatever overfit the validation data to get this to work.

And and that's I think MD and DFT are like that.

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