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| ▲ | ajkjk 8 hours ago | parent | next [-] |
| Part of the problem is that the difficulty curve becomes, like, superexponential if you try to do the actual math. Fairly elementary atoms require the full theory of quantum mechanics to justify rigorously, and anything more complicated than that requires huge bodies of specialist knowledge on approximation schemes (I assume; I haven't studied them, but given that helium already requires approximations I'm assuming the trend continues..) Of course, they could still do a much better job useful providing pointers into this knowledge, instead of just handwaving over it and insisting on rote memorization. |
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| ▲ | DiscourseFan 6 hours ago | parent | next [-] | | But oftentimes theoretical chemistry is not as important as what we get out of experiments because unlike physics, which attempts to derive general laws of nature, chemistry has to deal with the nitty gritty of the diversity of actual miscroscopic interactions of things. Any theory that is not entirely rigorous or even has slight room for an exception will be ignored by necessity, and physics is chock full of such examples. Biology is in a certain sense better (since it deals with larger things) and in a certain sense worse (as it relies on dogma and mysticism, at its essence, to explain the systems of life), and still nobody has gone beyond Aristotle and Kant in giving anything close to a rigorous definition of life as such. | | |
| ▲ | gmueckl 39 minutes ago | parent | next [-] | | Where is physics chock full pf exceptions? | |
| ▲ | isomorphic_duck 4 hours ago | parent | prev | next [-] | | how does biology depend on "dogma and mysticism"? I am really curious - a Google search yielded nothing much relevant. | | |
| ▲ | nemothekid 2 hours ago | parent | next [-] | | I think he's being a little facetious - what he probably means is that if you attempt to get any true scientific rigor of that is going on in biological or chemical systems you end up facing the limits of physics in being able to explain what is going on. So rather and try to have scientific rigor, you just accept things the way they are and memorize the outputs and if anyone asks "why is it like that", your answers are either: * Because God said so * Find out yourself and get a nobel prize Either way, even if you don't know what the answers are, you can still do serious work at a higher level of abstraction. | |
| ▲ | AngryData 2 hours ago | parent | prev [-] | | I would think just because everything is so cumulatively complicated and interconnected that if you tried to trace a line through a complex biological processes and explain it all you will end up with 1,000 PhD thesis topics to figure out and thousands more you just hadn't noticed yet. And at the end of the day none of that might be all that useful for describing the larger process at work. So at some point when someone ask "Why does X do Y" you gotta just settle on "because that's the way it is" and move on. |
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| ▲ | breezybottom 5 hours ago | parent | prev [-] | | [flagged] |
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| ▲ | rnikander an hour ago | parent | prev | next [-] | | All this computing power. Can we even simulate a water molecule yet from scratch with QM? | | |
| ▲ | smj-edison 29 minutes ago | parent [-] | | Depends what level of accuracy you want. I just started in a computational chemistry lab so I'll probably get some details wrong, but for small systems, you can use a method called CCSD(T) for up to ~20 atoms, but it scales O(N^7). I've been mainly using DFT for the systems I've been simulating, which scales O(N^3). I've been running a system with about 50 atoms with a decent basis set (how the orbitals are modelled), and it takes about 30 minutes for each optimization step with 24 cores and 48 GB of RAM. DFT works in many cases, but in some cases it doesn't estimate the energy right, due to how it bypasses some correlation calculations. Bonds are extremely sensitive to energy calculations, so you need to get super close to the actual energy in order to get useful results. Anyways, someone with more experience here could probably add more, but that's what I've picked up so far. |
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| ▲ | wombatpm an hour ago | parent | prev | next [-] | | Physical Chemistry (I think it was Chem 361 at UofI) took most of the semester to get to the point where we could derive the shape of the hydrogen orbitals. Probably the best lecture of that class. | |
| ▲ | chanakya 4 hours ago | parent | prev [-] | | As you move up levels starting from physics (eg. physics-> chemistry-> biochemistry-> biology), each layer has several "laws" which are generally pretty established, but a causal connection between the layers is hard to provide satisfactorily. And that is how I think it'll always be, else we'll be expecting to explain Shakespeare's plays using physics. Also, this is where Rutherford's "all science is either physics or stamp collecting" holds a lot of water. As you move up the science layers, the laws themselves become less mathematically rigid until by the time you get to the social sciences, explanations are all hand-waving, and all "laws" are statistical at best and empirical. | | |
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| ▲ | scheme271 6 hours ago | parent | prev | next [-] |
| At upper undergrad and grad levels, it probably would have improved a lot. The issue is that a lot of the why requires quantum mechanics to really explain and even that becomes intractable extremely quickly. Like you can probably do the analytic solutions for hydrogen atoms and electrons but once you get to helium or past that, you basically need to use a computer to do numeric calculations and even there, you are very quickly using approximations instead of solving the quantum equations directly. |
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| ▲ | smj-edison 20 minutes ago | parent [-] | | And also emergent behavior means that at each level, we need different abstractions to deal with the problem. Even with chemistry, there's ideas like benzene rings that are aromatic, you couldn't predict that from particle-particle interactions. So it's not just that it's hard to understand quantum mechanics, it's that understanding QM doesn't mean you'll understand the problems that chemistry deals with. |
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| ▲ | SlightlyLeftPad 6 hours ago | parent | prev | next [-] |
| I think this lines up with my experience. The way chemistry is often taught its very abstract, borderline magical. I also had an amazing physics professor who was able to tie literally everything we learned back to real practical and observable events. There is an art to teaching these subjects. This is all undergrad level though, and it wasn’t my major. |
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| ▲ | abecedarius 7 hours ago | parent | prev | next [-] |
| I don't know, I'm not very chemical, but fwiw: a friend and I were favorably impressed with Linus Pauling's general chemistry textbook. It tries to supply enough of the physics for the chemistry to make sense. We only studied for a few weeks before moving on, though, and it's a big fat book. |
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| ▲ | aaaronic 8 hours ago | parent | prev | next [-] |
| Yes and no. It depends which branch of chemistry you world have chosen to go down. Physical Chemistry certainly improves a fair amount of the hand waving, but even there the underlying physics is simplified fairly often (as I understand it — I went straight Physics and dabbled in Chemistry from the other side). |
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| ▲ | nerdsniper 7 hours ago | parent | next [-] | | As a chemical engineer, one of the signs of maturity was myself and each of my classmates individually coming to accept and embrace the inevitable “magic coefficient”. The curious always wanted to know why some magic coefficient was there. Where did it come from? How is it measured / calculated? How to derive the magic coefficient? Eventually you learn that it’s turtles all the down. You can pick apart the magic coefficient and dive into the nuanced physics that its derived from…but then you still end up with a new magic coefficient. So eventually, the curious students learn that the mysteries are out there for when you want to go out and explore them. But otherwise, we pick our level of abstraction for the problem we’re currently working on and accept the magic coefficients that apply to that level of abstraction. The real trick is knowing the conditional boundaries when those magic coefficients no longed apply and you either need different ones or “here be dragons”. | | |
| ▲ | andsoitis 5 hours ago | parent | next [-] | | That’s a wonderful way express that idea. Thanks for that! | |
| ▲ | compass_copium 6 hours ago | parent | prev [-] | | Are "magic coefficients" not just a result of the units you are using? Like how h-bar is 1 if you are using natural units | | |
| ▲ | nine_k 4 hours ago | parent [-] | | It's a different kind. Say, some reaction should run 1.23x faster theoretically. But the theory is approximate (in order to be tractable at all), and so are its predictions. This particular element is special in its own way, diverging from the theory a bit, even though its neighbors fit well. That particular bond requires a bit less energy to break than the theory predicts, due to a complex interplay of bonds nearby, understood only qualitatively. Etc, etc. A general theory of everything might describe all of it from first principles, without magic coefficients. But likely computing it would take a decade with current methods. | | |
| ▲ | compass_copium 3 hours ago | parent [-] | | Oh alright fair enough, measured vs. expected basically? | | |
| ▲ | nerdsniper 2 hours ago | parent [-] | | More like, “the unmeasurable” or “unmodelable”. Examples could be the “A” in the Arrhenius equation or the “k” in Fourier’s law of conduction. “A” is described as being derived from the collision frequency of molecules in that specific reaction but really it’s just an arbitrary magic number you look up in a book for the specific reaction that you’re working with. It’s often relatively temperature invariant across some range of temperatures but go outside that range and it becomes a function of temperature too. Pulling up the wikipedia for “Collision theory” will show you that there has been some work to derive values of A rather than just find them all experimentally for every reaction. But it’s still very unsatisfying to the curious mind. “k” is the thermal conductivity of a particular material. Curious minds might wonder what’s hidden behind this constant. How would someone predict “k” for a novel theoretical material? Like, say, tetrahedrane? It’s been awhile, otherwise I’d walk you through a graph containing a couple hierarchical nodes where one constant leads to another equation. But it’s a bit too late to pour through Perry’s Handbook right now to jog my memory. |
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| ▲ | jandrewrogers an hour ago | parent | prev [-] | | Something you become comfortable with in computational chemistry and chemical engineering is that it is a seemingly infinite recursive stack of problems that often have no closed form solution. Most of the models we use in practice are empirically created through careful laboratory studies because a derivation from the physics is computationally intractable for all but the most trivial cases. This leads to phenomena like getting different numbers for the same thing depending on how you compute and derive them. There are multiple approximate models for the same thing. Part of the skill is choosing a model likely to produce results that map closely to the real-world in a particular context with the least amount of effort. Chemical engineering as a discipline is effective at navigating and constraining the internal inconsistencies of these myriad models in a tractable way. The sausage factory is real. There isn’t a tidy bit of theory or math under this that is useful in real settings. This partly explains the handwaving nature of the explanations if working in that sausage factory isn’t going to be your profession. Even if you wanted to understand the theoretical basis, that becomes extremely non-trivial very quickly, so it isn’t the kind of thing worth spending much time on if you aren’t going to go deep in it. Not a satisfying answer, I know. |
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| ▲ | asdff 6 hours ago | parent | prev | next [-] |
| Not in undergraduate chemistry at least. Maybe chem majors had it different. Organic chemistry 1 was basically rote memorization of various reactions and catalysts and their required conditions. Exam questions would be some organic molecule start and some organic molecule end result and you'd have to draw out each and every intermediary step to get to that end result. Organic chemistry 2 was exactly the same just more reactions to memorize. Biochem was a little easier since the exams didn't ask for full pathways but still pretty much pure memorization. I hated these sorts off classes, where if you had your notes with you, you'd ace the exam and be able to explain everything. Passing or failing depended not on understanding, but simply whether you cram all the specifics and covered edge cases all into your head at once, given the rest of your present courseload preventing you from actually digging in to the best you could. Wrong answers didn't come from not knowing how to solve something, but not remembering exactly how to solve something. |
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| ▲ | compass_copium 6 hours ago | parent | next [-] | | You had a poor organic course. Even orgo 1 should have you thinking about resonance + electron-rich or -deficient areas of molecules and how those lead to reactions. | | |
| ▲ | asdff 6 hours ago | parent [-] | | Of course we talked about those. But if you went off only those you'd miss the edge cases and gotchas the prof laid for you in step 8 of the synthesis. Couldn't get around just doing worksheet after worksheet after worksheet of reactions to try and drive it into your head. Going to office hours to beg for more practice reactions. Everyone scheduled the rest of their major around when they would have to take ochem to make sure the rest of it was as light as possible. Uncurved class averages would be in the 50s. | | |
| ▲ | throwup238 2 hours ago | parent [-] | | That sounds like Caltech. The ochem major is notorious for how hard it is. |
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| ▲ | zem 6 hours ago | parent | prev | next [-] | | I was lucky enough to have Morrison and Boyd as my undergrad ochem textbook. they built the material up really well from first principles. | |
| ▲ | whattheheckheck 5 hours ago | parent | prev [-] | | And people clutch their pearls at ai not really understanding anything when people describe university experiences and lessons like this... |
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| ▲ | timcobb 8 hours ago | parent | prev | next [-] |
| Pi and sigma bonds fall out of thinking of it from a physical/symmetrical/statistical perspective. There's not too much hand waving in the modeling of atomic and molecular orbitals. |
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| ▲ | nsz65 6 hours ago | parent | prev | next [-] |
| Yes its like cooking or music. You start just by learning whats in the kitchen and on repeating steps. This creates latent or tacit knowledge that helps with the Why questions down the road. |
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| ▲ | ahahs 7 hours ago | parent | prev | next [-] |
| that's because chemistry is heavily involved in describing the nature of how elements and molecules interact with each other. There has to be some element of understanding that nothing is quite as clear because we use experiments and their conclusions to slowly but surely eliminate some theories while keeping others until disproven. |
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| ▲ | lacunary 8 hours ago | parent | prev | next [-] |
| this was my experience as well. "here's a trend, it's not true in these cases for reasons we won't explain." I only had two semesters and the second was much better than the first. |
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| ▲ | marcosdumay 7 hours ago | parent | prev | next [-] |
| The physics that predicts chemistry is about 100 years old. Almost nothing people study up to high-school is that recent, and that modern physics tends to be really hard. |
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| ▲ | JumpCrisscross 7 hours ago | parent [-] | | > physics that predicts chemistry Do we have this? | | |
| ▲ | gus_massa 6 hours ago | parent | next [-] | | Yes but ... after a few not so mild assumptions, it takes exponential time to solve it. In this case, you need 6 electrons in 2x5 orbitals for the Carbon and 82 electrons and 2x43 orbitals for Bismuth- (perhaps more, I usually work with lighter atom). So now the free parameter are Combinatoric(96,88)~=3E13 and you must construct a matrix of [3E13 x 3E13] and then find the minimal eigenvalue. So you must make a lot of simplifications and more assumptions to get the result before the universe dies. And this is for a very cold isolated molecule like in this experiment. If you have many moving molecules surrounded by a lot of water molecules at a usual room temperature, it gets much much much worse. | |
| ▲ | jandrewrogers an hour ago | parent | prev | next [-] | | More or less, but it is profoundly computationally intractable even in relatively trivial cases. Trying to do this was one of the earliest use cases for supercomputers. It is genuinely a “boiling the ocean” type problem. Practical attempts use a lot of heuristics and approximations, which risks fidelity. | |
| ▲ | marcosdumay 6 hours ago | parent | prev [-] | | You know that people simulate chemistry on computers, right? | | |
| ▲ | JumpCrisscross 6 hours ago | parent [-] | | Yes. We also simulate cosmology and quantum systems and play Sims. | | |
| ▲ | marcosdumay 5 hours ago | parent [-] | | The difference being that the chemical simulations get the correct answers on most conditions. And probably the few they miss are because of the simulation limitations, not of the underlying model. Those other simulators aren't there to tell you the result. Instead people put the result in to find how the simulation behaves in cosmology, and don't care about them in Sims. |
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| ▲ | whatever1 3 hours ago | parent | prev [-] |
| We have answers. It’s called physical chemistry. The problem is that it takes a shit ton of math |