The Number of Isomeric Hydrocarbons of the Methane Series
Henze and Blair's 1931 JACS paper deriving exact recursive formulas for counting constitutional alkane isomers.
History-of-Science - Page 2
The Surface of Venus
A review of Basilevsky and Head's synthesis of Venus geology and surface features, emphasizing radar imaging and …
Modernizing Rahman''s 1964 Argon Simulation
A high-fidelity replication of foundational molecular dynamics using modern software engineering practices: caching, …
Modernizing Rahman's 1964 Argon Simulation
How I used modern software engineering (caching, vectorization, and dependency locking) to reproduce a 60-year-old …
Umbrella Sampling: Monte Carlo Free-Energy Estimation
Torrie and Valleau's 1977 paper introducing Umbrella Sampling, an importance sampling technique for Monte Carlo …
Adsorption and Diffusion on Surfaces
Lennard-Jones's 1932 foundational paper introducing potential energy surface models to unify physical and chemical …