A new algorithm for isosurface extraction is proposed and implemented The algorithm is based on the new mathematical understanding of the theory of the quasi Monte Carlo methods Di erent from the general isosurface extracting meth ods which work on the whole data set this algorithm works on a subset of the orig inal large three dimensional data set which is generated by the quasi Monte Carlo me...

Although stoquastic Hamiltonians are known to be simulable via sign-problem-free quantum Monte Carlo (QMC) techniques, the nonstoquasticity of a Hamiltonian does not necessarily imply existence QMC sign problem. We give sufficient and necessary condition for QMC-simulability in given basis: prove that simulation will if only all overall total phases along chordless cycles weighted graph whose a...

Monte Carlo simulation is often used to solve radiative transfer problems where complex physical phenomena and geometries must be handled. Slow convergence is a well known disadvantage of this method. In this paper we demonstrate that a significant improvement in computation time can be achieved by using Quasi-Monte Carlo (QMC) methods to simulate Rapid Thermal Processing.

Monte Carlo (MC) techniques are often used to price complex financial derivatives. The computational effort can be substantial when high accuracy is required. However, MC computations are latency tolerant, and are thus easy parallelize even with high communication overheads, such as in a distributed computing environment. A drawback of MC is its relatively slow convergence rate, which can be ov...

The Quantum Monte Carlo (QMC) method is used to study physical problems which are analytically intractable due to many-body interactions and strong coupling strengths. This makes QMC a natural choice in the warm dense matter (WDM) regime where both the Coulomb coupling parameter Γ ≡ e/(rskBT ) and the electron degeneracy parameter Θ ≡ T/TF are close to unity. As a truly firstprinciples simulati...

We report an implementation of the momentum space quantum Monte Carlo (QMC) method on interaction model for twisted bilayer graphene (TBG). The long-range Coulomb repulsion is treated exactly with flat bands, spin and valley degrees freedom electrons taking into account. prove absence minus sign problem QMC simulation when either two valleys or are considered. By realistic parameters twist angl...

The first reliable analytic calculation of the phase diagram of the bose gas on a d-dimensional lattice with on-site repulsion is presented. In one dimension, the analytic calculation is in excellent agreement with the numerical Monte Carlo results. In higher dimensions, the deviations from the Monte Carlo calculations are larger, but the correct shape of the Mott insulator lobes is still obtai...

High-throughput calculations based on density functional theory (DFT) methods have been widely implemented in the scientific community. However, depending on both the properties of interest as well as particular chemical/structural phase space, accuracy even for correct trends remains a key challenge for DFT. In this work, we evaluate the use of quantum Monte Carlo (QMC) to calculate material f...

The authors present phaseless auxiliary-field (AF) quantum Monte Carlo (QMC) calculations of the ground states of some hydrogen-bonded systems. These systems were selected to test and benchmark different aspects of the new phaseless AF QMC method. They include the transition state of H+H(2) near the equilibrium geometry and in the van der Walls limit, as well as the H(2)O, OH, and H(2)O(2) mole...

We report quantum Monte Carlo QMC , plane-wave density-functional theory DFT , and interatomic pair-potential calculations of the zero-temperature equation of state EOS of solid neon. We find that the DFT EOS depends strongly on the choice of exchange-correlation functional, whereas the QMC EOS is extremely close to both the experimental EOS and the EOS obtained using the best semiempirical pai...