A digital restoration of Rahman’s seminal 1964 molecular dynamics paper using LAMMPS and a production-grade Python analysis pipeline featuring intelligent decorator-based caching, fully vectorized NumPy computations for O(N^2) operations, and modern tooling (uv, type hints, Makefile automation) transforming academic scripts into reproducible research toolkit.
We trace the history of Page Stream Segmentation (PSS) through three eras (Heuristic, Encoder, and Decoder) and explain how privacy-preserving, localized LLMs enable true semantic processing.
This paper introduces NOMINATE, a probabilistic spatial model that recovers metric coordinates for legislators and roll calls from nominal voting data, demonstrating that a single liberal-conservative dimension explains the vast majority of Congressional voting behavior.
Sussman and Wisdom’s 1992 study used the Supercomputer Toolkit and symplectic mapping to integrate the entire Solar System for 100 million years, confirming chaotic behavior with an exponential divergence timescale of ~4 million years and demonstrating that long-term planetary motion is fundamentally unpredictable.
Geoffrey Hinton’s seminal 1984 technical report that formally derives the efficiency of distributed representations (coarse coding) and demonstrates their properties of automatic generalization, content-addressability, and robustness to damage.
This 1990 paper presents an early OCR pipeline for converting hand-drawn or printed chemical structures into connectivity tables. It introduces novel sweeping algorithms for graph perception and a matrix-based feature extraction method for character recognition.
Proposes the Hyperbolic Algorithm for Euclidean field theory simulations. By adding a second-order fictitious time derivative to the Langevin equation, the method reduces systematic errors to O(ε²) compared to the standard Langevin O(ε), enabling significantly faster autocorrelation times and more efficient simulations.
This foundational paper established the three-domain classification system that transformed our understanding of evolutionary relationships, identifying Archaea as a separate domain of life based on molecular evidence from ribosomal RNA sequences.
This seminal work validated the use of classical Molecular Dynamics for simulating liquids, revealing the ‘cage effect’ in velocity autocorrelation and establishing the standard predictor-corrector integration algorithms for N-body problems.
A deep dive into the physical limits of life on Venus, reviewing Charles Cockell’s foundational 1999 analysis while connecting it to modern discoveries like the 2020 phosphine detection and upcoming DAVINCI+ missions.
The 2020 paper that introduced SELFIES: how Mario Krenn and colleagues created a molecular representation that guarantees every generated string corresponds to a valid chemical structure.
The 1988 paper that started it all: how David Weininger created SMILES notation to solve the problem of representing chemical structures as compact, human-readable strings.