Location of Saddle Points and Minimum Energy Paths by a Constrained Simplex Optimization Procedure
Summary of Müller and Brown's 1979 paper introducing a novel gradient-free method based on constrained simplex optimization for locating transition …
Foundational-Paper
6 posts tagged with foundational-paper.
Levinthal's Paradox and the Kinetic Pathway of Protein Folding
Summary of Cyrus Levinthal's 1969 talk that introduced the famous paradox of protein folding, arguing that the astronomical search space of …
Nonphysical Sampling Distributions in Monte Carlo Free-Energy Estimation: Umbrella Sampling
Summary of Torrie and Valleau's 1977 paper that introduces Umbrella Sampling, a powerful and general importance sampling technique for overcoming the …
Various Techniques Used in Connection With Random Digits
Summary of John von Neumann's 1951 paper (transcribed by G. E. Forsythe) that lays the conceptual groundwork for modern pseudo-random number …
Correlations in the Motion of Atoms in Liquid Argon
Summary of Aneesur Rahman's 1964 paper that effectively founded the field of molecular dynamics simulation by demonstrating its power to reveal the …
Communication in the Presence of Noise
Summary of Claude Shannon's 1949 paper that establishes the mathematical foundations of information theory, introducing the concepts of channel …