arXiv subjects
Publications and source records attributed to Dov Bai.
An efficient multigrid Monte-Carlo algorithm for calculating the ground state of the hydrogen atom using path integral is presented. The algorithm uses a unigrid approach. The action integral near r=0 is modified so that the correct values of observables are obtained. It is demonstrated that the critical slow down (CSD) is eliminated. Finally, the algorithm is compared to the staging algorithm.
The multiscale Monte-Carlo algorithm outlined in Bai and Brandt[1] is applied to a simple model of the polypeptide backbone. Effective coarse level Hamiltonians are derived by a fast Newtonian iterative scheme. The coarse Hamiltonian parameters are adjusted so that local structural properties have the same value in both coarse and fine level simulations. It is demonstrated that at convergence of iterations, global structural properties are reproduced very well in coarse level simulations.