by GlibMonkeyDeath
0 subcomment
- This is a molecular dynamics (with a specific TIP4 water model) and AI. I would characterize this paper (and basically most MD/AI simulation) as "guided hypothesis generation". I am skeptical that this result will hold up to experimental validation. It is incredibly easy to generate molecular dynamics results that look perfectly reasonable but have nothing to do with "reality" (i.e., how a lab experiment with the same system would turn out.)
One of the biggest challenges with water is modeling proton transport (i.e. pH, as water is a weird self-ionizing material.) Protons move too fast for MD steps to be stable, so they have to be approximated in some way. That is one reason why there are so many water models to choose from. Each model has a trade-off that is fine in some contexts, disastrous in others.
My money is on a TIP4 artifact.
- Somewhat related is the hydration shell around molecules especially proteins. It’s been shown that semi structured water around proteins help guide molecules to reaction sites. Water is an amazing thing!
- Study published in Nature Physics: https://www.nature.com/articles/s41567-026-03301-8
by VladVladikoff
1 subcomments
- >The boundary between them is thought to terminate at a "second critical point." This deeply supercooled region is so hard to study experimentally because water crystallizes rapidly
This sounds like the type of thing that could be used for some future technology that doesn’t exist yet and I can’t comprehend. Some sort of process that takes advantage of being in this second critical state.
by jzer0cool
2 subcomments
- Could someone explain why raising standing water temperature to boiling, I see a constant stream of bubbles forming at the bottom of pan and floating up? Was there air between the water molecules to begin with? Any articles to help explain? I understand the obvious phase transition to gas which would escape at the top, but cannot quite grasp how we get the trapped air at the bottom.
- a couple of breadcrumbs regarding the molecular organization of water.
Dissecting the hydrogen bond network of water: Charge transfer and nuclear quantum effects[2024]
https://www.science.org/doi/10.1126/science.ads4369
Resonance Character of Hydrogen-bonding Interactions in Water and Other H-bonded Species[2005]
https://pubmed.ncbi.nlm.nih.gov/16581375/
- I wonder if we are finding structure here because we are looking for structure.
Similar how you can find human faces in random pixels or rocks.
by mefistofeles
1 subcomments
- Sadly paper is behind paywall. But I question the choosing of the water model to be a 4-site, and why that specific 4-site one (TIP4P) instead of others that have shown to be more accurate such as OPC. Also, there seem to be previous experimental work (https://arxiv.org/abs/1304.2877) showing some evidence that apparently is not even referenced in this new paper. I wonder how does that compare, if at all.
by Ericson2314
0 subcomment
- This neural network stuff does give me real divination vibes, not gonna lie.
- "Density is greatest at 39F, not 32F"
But density at "greatest" would mean volume shrinking...right?
I don't understand the article's logic.
- > Much of the evidence for the LLPT has therefore come from computational studies.
So it's just a numerical simulation with some ML techniques?
by harimau777
10 subcomments
- It would be hilarious if homeopathy turned out to be right!
(To be clear, I don't think that will actually happen, but it would be hilarious if it did!)
by potatosalad99
2 subcomments
- So the OTA firmware updates on my dehumidifier for when they discover a new kind of water will come in handy after all!
by doctorpangloss
1 subcomments
- "In a neural network." is the new "In mice."
- [dead]
- Great to see progress on ice-9 /s
- So if liquid water is really a mixture of water and water, is it safe to say that this paper establishes that water is wet?
by appreciatorBus
1 subcomments
- [flagged]
Hacker News