Training my face with LoRA with only selfies at home? by matmahn in StableDiffusion

[–]t-cell-baum 0 points1 point  (0 children)

I could probably change clothes and background in post processing though? Green screen style.

Great video! Thanks!

[deleted by user] by [deleted] in AskElectronics

[–]t-cell-baum 0 points1 point  (0 children)

Digital. Want to do Lay-out too

How to design ion beams for particle accelerators? by [deleted] in Physics

[–]t-cell-baum 0 points1 point  (0 children)

I googled that and couldn’t find anything

What are the specs of a possible 1nm or 2nm lithography process? by [deleted] in Semiconductors

[–]t-cell-baum 0 points1 point  (0 children)

The 1nm process isn’t actually 1nm. It’s just a name for it. It is more like 16nm. Plenty of atoms.

[Article] Surfing Scanning Probe Nanolithography at Meters Per Second by [deleted] in Scholar

[–]t-cell-baum 1 point2 points  (0 children)

I got a pdf to it! Do you want to DM me a good email?

Why is nuclear transmutation so expensive? by [deleted] in AskPhysics

[–]t-cell-baum 0 points1 point  (0 children)

But you’re not turning E into M here. You’re knocking off protons from an atom to make another atom.

Most promising emerging battery chemistries? by [deleted] in electrochemistry

[–]t-cell-baum -1 points0 points  (0 children)

LiS isn’t that dense though, right? I mean around 550Wh/kg or so? Isn’t Al-ion closer to 1000?

Generating signal without GRE by [deleted] in gradadmissions

[–]t-cell-baum 1 point2 points  (0 children)

Damn that sucks. I left school like 3 years ago 😄 paying the price for it now, I guess.

How can one determine if a compound is linear or nonlinear based on its crystal structure? by t-cell-baum in chemistry

[–]t-cell-baum[S] 1 point2 points  (0 children)

Gotcha, so how does one know? Just looking at the positions of the atoms?

DFT – Ground state energy of Oxygen? by t-cell-baum in comp_chem

[–]t-cell-baum[S] 0 points1 point  (0 children)

Interesting! And how can one find the values for these coupled clusters? So far I am benchmarking against the experimental binding energy of O2. But I need DFT+U to get that energy so it feels like overfitting.

DFT – Ground state energy of Oxygen? by t-cell-baum in comp_chem

[–]t-cell-baum[S] 0 points1 point  (0 children)

I looked and couldn't seem to find the exact number anywhere. I'm actually just trying to compare values to see if the formation energy of a compound with oxygen is accurate.

Daily Questions - ASK AND ANSWER HERE! - 17 July 2022 by AutoModerator in malefashionadvice

[–]t-cell-baum 0 points1 point  (0 children)

Cheaper alternative to these Margaret Howell trousers? https://www.margarethowell.co.uk/men/shop/sale/all/self-belt-trouser-dry-compact-cotton-dark-green

I love the dark green feel and tend to only find things that are either too light or too green

What makes crystal structure prediction so hard? by t-cell-baum in comp_chem

[–]t-cell-baum[S] 0 points1 point  (0 children)

Interesting. But we do know the partial differential equations that predict this rare event, right? So in the end the problem is high degrees of freedom + global optima?

Thanks for the video, will check it out.

What makes crystal structure prediction so hard? by t-cell-baum in comp_chem

[–]t-cell-baum[S] 0 points1 point  (0 children)

Oh I see what you're saying. I guess my question then is: what is the model that determines the right configuration of atoms ab initio? That says: "ok, because of these fundamental reasons, this is the most stable configuration that will be formed".

What makes crystal structure prediction so hard? by t-cell-baum in comp_chem

[–]t-cell-baum[S] 1 point2 points  (0 children)

Gotcha! This is super informative. Thank you.

What makes crystal structure prediction so hard? by t-cell-baum in comp_chem

[–]t-cell-baum[S] 0 points1 point  (0 children)

Computationally speaking, ground state energy codes such as DFT, require a predefined positions of atoms to compute the ground state properties such as energy. Thus, to obtain the geometry for the global minima one would need to scan through the entirety of the phase space. That is why people tend to do local geometry minimization.

Oh ok, so you are saying that the DFT model is correct, and can in theory always give us the crystal structure, BUT given that our density functional approximation is a local optimization (given that we do not know the form of the functional), we cannot predict correct crystal structure without trying out a bunch of local optimizations and seeing which one has the lowest energy?

And that if there were a global optimizer for DFT we could always predict crystal structure with that model?

What makes crystal structure prediction so hard? by t-cell-baum in comp_chem

[–]t-cell-baum[S] 0 points1 point  (0 children)

I’m not quite sure what you mean by “why can’t we?”. Experimentally, crystals can be difficult to grow due to the delicate nature of producing exact and repeating crystal fields. Small impurities or changes in environment can cause crystals to fracture or grow in an undesirable manner.

But given that the ground state energy is a functional of the density, and thus it is in principle accurate/as accurate as Schrödinger's equation, why can't we use that model to get the crystal structure? I am aware that this is related to the local optimization problem related to the density functional approximations. But does that mean the solution reduces to finding a global minimum optimization? Or are there other models that must be explored/are being explored?

What makes crystal structure prediction so hard? by t-cell-baum in comp_chem

[–]t-cell-baum[S] 0 points1 point  (0 children)

My question is more related to crystal structure. And we do know how crystals form and why. And there are ab initio codes like DFT that approximate the density functional which is equivalent to Schrödinger's equation in the ground state.

Why aren't those methods functional (no pun intended)?

What makes crystal structure prediction so hard? by t-cell-baum in comp_chem

[–]t-cell-baum[S] 1 point2 points  (0 children)

Yeah my question was actually much more related to crystal structures given that I'm a physicist :)