A path integral method for data assimilation

Described here is a path integral, sampling-based approach for data assimilation, of sequential data and evolutionary models. Since it makes no assumptions on linearity in the dynamics, or on Gaussianity in the statistics, it permits consideration of very general estimation problems. The method can be used for such tasks as computing a smoother solution, parameter estimation, and data/model initialization.Speedup in the Monte Carlo sampling process is essential if the path integral method has any chance of being a viable estimator on moderately large problems. Here a variety of strategies are proposed and compared for their relative ability to improve the sampling efficiency of the resulting estimator. Provided as well are details useful for its implementation and testing.The method is applied to a problem in which standard methods are known to fail, an idealized flow/drifter problem, which has been used as a testbed for assimilation strategies involving Lagrangian data. It is in this kind of context that the method may prove to be a useful assimilation tool in oceanic studies.     

Permutation blocking path integral Monte Carlo simulations of degenerate electrons at finite temperature

We analyse the simulation of strongly degenerate electrons at finite temperature using the recently introduced permutation blocking path integral Monte Carlo (PB‐PIMC) method [T. Dornheim et al., New J. Phys. 17 , 073017 (2015)]. As a representative example, we consider electrons in a harmonic confinement and carry out simulations for up to P = 2000 so‐called imaginary‐time propagators – an important convergence parameter within the PIMC formalism. This allows us to study the P‐dependence of different observables of the configuration space in the Monte Carlo simulations and of the fermion sign problem. We find a surprisingly persisting effect of the permutation blocking for large P, which is explained by comparing different length scales. Finally, we touch upon the uniform electron gas in the warm dense matter regime.     

Monte Carlo method for neutron spectrum recovery - a new approach based on the accelerated ions distribution

New method of neutron spectrum recovery described in the paper involves accelerated deuterons (that produce neutrons in DD reaction) and allows getting neutron spectrum in any direction from computed time-velocity characteristics of deuterons. Time of flight signals registered in various distances and directions are used, that makes information involved in the recovery process (Monte-Carlo simulation) more complete than in a one-directional case, although additional assumption about axial symmetry of deuterons motion, is required. In the paper recent results of two standard tests of the proposed method are presented demonstrating its capability to recover neutron spectrum from time-of-flight signals.     

Ground states of the hydrogen molecule and its molecular ion in the presence of a magnetic field using the variational Monte Carlo method

ABSTRACT

By using the variational Monte Carlo (VMC) method, we calculated the 1sσ_g-state energies, the dissociation energies, and the binding energies of the hydrogen molecule and its molecular ion in the presence of an aligned magnetic field regime between 0 and 10?a.u. The present calculations are based on using two types of compact and accurate trial wave functions, which are put forward for consideration in calculating energies in the absence of a magnetic field. The obtained results are compared with the most recent accurate values. We conclude that the applications of the VMC method can be successfully extended to cover the case of molecules under the effect of a magnetic field.