id author title date pages extension mime words sentence flesch summary cache txt h989r210119 Scott Hampton Improved Sampling of Configuration Space of Biomolecules Using Shadow Hybrid Monte Carlo 2004 .txt text/plain 151 6 43 This thesis introduces shadow hybrid Monte Carlo (SHMC), a propagator through phase space that enhances the scaling of sampling with space dimensionality. We present the derivation of SHMC, along with: proof that it preserves microscopic reversibility; analysis of the asymptotic speedup of SHMC over HMC, which is shown to be $O(N^{1/4})$ when using Verlet integrators; and results evaluating correctness and efficiency. cache/h989r210119.txt txt/h989r210119.txt