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Monthly Archives: January 2026
Density Functional Theory
Problem: In one sentence, what is the essence of DFT? Solution: To replace \(\Psi\mapsto n\), where the number density of a system of \(N\) identical quantum particles (usually electrons) \(n(\mathbf x)\) is: \[n(\mathbf x):=N\int d^3\mathbf x_2…d^3\mathbf x_N |\Psi(\mathbf x,\mathbf x_2,…,\mathbf … Continue reading
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PyTorch Fundamentals (Part \(2\))
Problem: Do an end-to-end walkthrough of the PyTorch machine learning workflow using the most basic univariate linear regression example. In particular, generate some linear data over a normalized feature space (whose slope \(w\) and intercept \(b\) would in practice be … Continue reading
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PyTorch Fundamentals (Part \(1\))
Problem: Illustrate some of the basic fundamentals involved in using the PyTorch deep learning library. In particular, discuss the attributes of PyTorch tensors (e.g. dtype, CPU/GPU devices, etc.), how to generate random PyTorch tensors with/without seeding, and operations that can … Continue reading
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