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Optimization story - quantum mechanics simulation speedup

tinkering.xyz

As part of my PhD I do computational modeling of quantum-biological systems. One of my simulations was misbehaving and in certain cases could take 8 hours to complete. That's really bad when you're trying to iterate quickly. This post describes how I made a series of optimizations to reduce the runtime by 250x via profiler driven algorithmic improvements, rewriting the core in Rust, and making use of parallelism.

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