A Spatial Model for Legislative Roll Call Analysis
Introduces NOMINATE, a probabilistic spatial model estimating legislator ideal points from roll call data via maximum …
Algorithms
Chaotic Evolution of the Solar System (1992)
Landmark numerical study revealing chaotic dynamics and unpredictability in planetary orbits using symplectic …
Dynamical Corrections to TST for Surface Diffusion
Application of dynamical corrections formalism to TST for LJ surface diffusion, revealing bounce-back recrossings at low …
Funnels, Pathways, and Energy Landscapes
Foundational paper establishing the energy landscape theory, folding funnels, and the principle of minimal frustration.
Mixture Density Networks
Seminal 1994 paper introducing MDNs to model arbitrary conditional probability distributions using neural networks.
Second-Order Langevin Equation for Field Simulations
Hyperbolic Algorithm adds second-order derivatives to Langevin dynamics, reducing systematic errors to O(ε²) for lattice …
Tea Party in the House
A hierarchical probabilistic model combining roll call votes, bill text, and legislative speeches to analyze political …
How to Fold Graciously: The Levinthal Paradox
A perspective paper defining the Grand Challenge of protein folding: distinguishing kinetic pathways from thermodynamic …
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.
Exponential Random Numbers: Two Classic Algorithms
Compare inverse transform sampling and von Neumann's rejection method for exponential random numbers with Python …
Efficient DFT Hamiltonian Prediction via Adaptive Sparsity
Luo et al. introduce SPHNet, using adaptive sparsity to dramatically improve SE(3)-equivariant Hamiltonian prediction …
Umbrella Sampling: Monte Carlo Free-Energy Estimation
Torrie and Valleau's 1977 paper introducing Umbrella Sampling, an importance sampling technique for Monte Carlo …