Molecular Modeling Tools Molecular modeling, at many scales, is fundamental to progress in drug discovery and development of new materials. fastlab Big Ideas People Stuff Iin progress Efficient Molecular Dynamics with the Axilrod-Teller Potential A fast algorithm for force computation using the 3-body Axilrod-Teller potential function, with a demonstration of its use in molecular dynamics. Fast Monte Carlo and Multi-Body Potential Evaluation An ultra-fast approach to evaluating potentials combining Monte Carlo and multipole techniques, which generalizes to multi-body (more than pairwise) potentials. Fast Hartree-Fock Calculation A new approach to computing Hartree-Fock exchange and Coulomb matrices, based on a four-tree algorithm.