Technical articles on computational chemistry, software development, and scientific computing.
How shell-set batching, adaptive dispatch, and consumer-driven accumulation make GPU acceleration practical for two-electron integral evaluation in quantum chemistry.
Hard-won lessons for scientific software development, and how to direct AI coding tools so they help rather than hurt performance.
An overview of many-body expansion, fragment molecular orbital, and embedded methods for large-scale quantum chemistry calculations.
Welcome to my blog! An introduction to who I am and what I'll be writing about.