lowdanie

7 ms·

1.
Show HN: Formal Verification with Lean(daniellowengrub.com)
1 points by lowdanie 4mo ago|0 comments
2.
Show HN: Formal Verification with Lean(daniellowengrub.com)
3 points by lowdanie 4mo ago|0 comments
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by lowdanie 8mo ago
From my understanding, accurate simulations at the electron level (post Hartree Fock / DFT) are currently limited to 100 atoms (on a gpu cluster this can take hours or days). Maybe this can be pushed to 1000 atoms with aggressive opti
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by lowdanie 8mo ago
Theoretically yes, but the method that is currently implemented (Hartree Fock) is notoriously inaccurate for molecular interactions. For example it does not predict the Van Der Waals force between water molecules. I’m planning to add suppor
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by lowdanie 8mo ago
Thanks!
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by lowdanie 8mo ago
Thanks!
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by lowdanie 8mo ago
The short answer is yes, but either memory (if the electron integrals are cached) or runtime (if they are not cached) currently scales like O(n^4) where n is the number of atoms. In cached mode, it can currently jit compile the graph for mo
8.
by lowdanie 8mo ago
In a nutshell, the only approximation in Hartree Fock is the assumption that the electronic wave function has a very specific form. Namely, that it is a Slater determinant of orbitals, and that each orbital is a linear combination of atomic
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by lowdanie 8mo ago
Since the gradients are computed with jax, the library can be used to differentiate with respect to all inputs including nuclear charge and basis set parameters (exponents and contraction coefficients). I agree that computing gradients for
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Show HN: Quantum Chemistry from Scratch(daniellowengrub.com)
1 points by lowdanie 8mo ago|0 comments
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Show HN: Differentiable Quantum Chemistry(github.com)
52 points by lowdanie 8mo ago|15 comments
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by lowdanie 8mo ago
https://www.daniellowengrub.com/
13.
Show HN: Differentiable Quantum Chemistry(github.com)
2 points by lowdanie 8mo ago|0 comments
14.
by lowdanie 1y ago
Thanks!
15.
Quantum Computing and the Hidden Subgroup Problem(daniellowengrub.com)
40 points by lowdanie 1y ago|12 comments
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Show HN: Understanding the Bloch Sphere(daniellowengrub.com)
7 points by lowdanie 2y ago|0 comments
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by lowdanie 2y ago
One related concept is “partially homomorphic encryption” ( https://en.wikipedia.org/wiki/Homomorphic_encryption#Partial... ). These are encryption schemes that are homomorphic under one operation such as addition or mul
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by lowdanie 2y ago
Thanks! I completely agree that it is possible to homomorphically evaluate b - <a,s> much more easily using homomorphic addition and multiplication. However, wouldn't we still need some sort of blind rotate magic to bound the out
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Show HN: Fully Homomorphic Encryption from Scratch(daniellowengrub.com)
3 points by lowdanie 2y ago|2 comments
20.
by lowdanie 5y ago
As other commenters have mentioned, it is common practice to use such an approach to find genes that are associated with a disease (GWAS). But finding a correlated gene is only the first step. One issue is that a single protein can particip
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by lowdanie 5y ago
Yes, the even healthy cells are constantly transporting protein fragments to the cell surface but the immune system learns to ignore these as it is developing. In addition, B and T cells only detect fragments on the surface of active Dendri
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by lowdanie 5y ago
There is a system that transports protein fragments to the cell surface and “presents” them to the immune cells: https://en.m.wikipedia.org/wiki/Antigen_presentation
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by lowdanie 6y ago
In some sense you have described our microbiome :)
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Show HN: Building a Binary Counter(daniellowengrub.com)
4 points by lowdanie 6y ago|0 comments
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Heat Capacity and the Speed of Sound(daniellowengrub.com)
5 points by lowdanie 6y ago|0 comments
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by lowdanie 6y ago
1. One advantage of the mRNA vaccine is that each strand of mRNA is translated to protein many times before it is degraded. So less vaccine has to be manufactured and the dosage can be smaller. Another advantage is that since it lacks prote
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by lowdanie 6y ago
Very nice. One issue I noticed: I looked up Chana Masala and the first recipe (Vegan Chana Masala) calls for “12 tsp salt” but the source calls for “1/2 tsp salt” :)
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Quantum Computational Advantage Using Photons(science.sciencemag.org)
3 points by lowdanie 6y ago|0 comments
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by lowdanie 6y ago
Thanks for the link!
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by lowdanie 6y ago
Indeed, the statement is that for any list of axioms there exists a countable set of objects satisfying them. For example, you could write down axioms for the real numbers by specifying that there should be relations called + and x with the

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