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We use variational quantum Monte Carlo to calculate the density-functional exchange-correlation hole n_{xc}, the exchange-correlation energy density e_{xc}, and the total exchange-correlation energy E_{xc}, of several electron gas systems…
Conventional diagonalization methods to calculate nuclear energy levels in the framework of the configuration-interaction (CI) shell model approach are prohibited in very large model spaces. The shell model Monte Carlo (SMMC) is a powerful…
This paper gives a method that maps the static magnetic field due to a system of parallel current-carrying wires to a complex function. Using this function simplifies the calculation of the magnetic field energy density and inductance per…
We develop a classical Monte Carlo algorithm based on a quasi-classical approximation for a pseudospin S=1 Hamiltonian in real space to construct a phase diagram of a model cuprate with a high Tc. A model description takes into account both…
The Short-Time approximation is a method introduced to evaluate electroweak nuclear response for systems with $A\geq12$, extending the reach of first-principle many-body Quantum Monte Carlo calculations. Using realistic two- and three-body…
This paper addresses Monte Carlo algorithms for calculating the Shapley-Shubik power index in weighted majority games. First, we analyze a naive Monte Carlo algorithm and discuss the required number of samples. We then propose an efficient…
Using Monte Carlo simulations, we investigate the electrical conductivity of networks of hard rods as a function of the volume fraction for two tunneling conductance models. For a simple, orientationally independent tunneling model, we…
A classical description of electron emission differential ionization cross sections for highly-charged high-velocity ions ($\sim$ 10 a.u.) impinging on water molecules is presented. We investigate the validity of the classical statistical…
The utility of a Markov chain Monte Carlo algorithm is, in large part, determined by the size of the spectral gap of the corresponding Markov operator. However, calculating (and even approximating) the spectral gaps of practical Monte Carlo…
We have developed a technique combining the accuracy of quantum Monte Carlo in describing the electron correlation with the efficiency of a Machine Learning Potential (MLP). We use kernel regression in combination with SOAP (Smooth Overlap…
Active subspaces can effectively reduce the dimension of high-dimensional parameter studies enabling otherwise infeasible experiments with expensive simulations. The key components of active subspace methods are the eigenvectors of a…
We present both numerical and semi-analytical results on test-particle acceleration in multiple parallel shocks. We apply a kinetic Monte Carlo code and an eigenfunction expansion method to calculate the distribution functions for electron…
This paper presents results of numerical simulations of electron tunneling through water that extend our previous calculations on such systems in several ways. First, a tip-substrate configuration is used; second, calculations are carried…
A detailed Monte-Carlo code has been developed from basic principles that simulates almost all of the basic photon and charged particle interactions. The code is used to derive the response functions of a high energy photon detector to…
We propose a Multi-Cell Monte Carlo algorithm, or (MC)^2, for predicting stable phases in chemically complex crystalline systems. Free atomic transfer among cells is achieved via the application of the lever rule, where an assigned molar…
A new method for calculating the symmetry-projected energy of coupled-cluster singles and doubles (CCSD) wave function through the Monte Carlo method is proposed. We present benchmark calculations in considering the three-level Lipkin model…
In the last few years we have been developing a Monte Carlo simulation method to cope with systems of many electrons and ions in the Born-Oppenheimer (BO) approximation, the Coupled Electron-Ion Monte Carlo Method (CEIMC). Electronic…
The scattering equation formalism is a general framework for calculation of amplitudes in theories of massless particles. We provide a detailed introduction to the 4D scattering equation framework accessible to non-experts, outline current…
We generalize a recently developed method for accelerated Monte Carlo calculation of path integrals to the physically relevant case of generic many-body systems. This is done by developing an analytic procedure for constructing a hierarchy…
This chapter is devoted to the computation of equilibrium (thermodynamic) properties of quantum systems. In particular, we will be interested in the situation where the interaction between particles is so strong that it cannot be treated as…