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Quantum Monte Carlo-based density functional for one-dimensional Bose-Bose mixtures
Published 2023-04-01“…Our approach follows the density functional theory with the energy functional based on the exact quantum Monte Carlo (QMC) simulations. Our model covers, but goes beyond, the popular approach with the Lee-Huang-Yang corrections. …”
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42
Gravitational wave matched filtering by quantum Monte Carlo integration and quantum amplitude amplification
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43
Quantum Monte Carlo simulations for estimating FOREX markets: a speculative attacks experience
Published 2023-06-01“…In this study, we propose to apply Auxiliary-Field Quantum Monte Carlo to increase the precision of the FOREX markets models from different sample sizes to test simulations in different stress contexts. …”
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44
Dimensional crossover in spin-1 Heisenberg antiferromagnets : a quantum Monte Carlo study
Published 2013“…The stochastic series expansion quantum Monte Carlo method is used to calculate equilibrium thermodynamic variables in the presence of an external magnetic field. …”
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45
Quantum spin models with long-range interactions and tunnelings: a quantum Monte Carlo study
Published 2012-01-01“…We use a quantum Monte Carlo method to investigate various classes of two-dimensional spin models with long-range interactions at low temperatures. …”
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46
Efficient world-line-based quantum Monte Carlo method without Hubbard–Stratonovich transformation
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47
Colossal band gap response of single-layer phosphorene to strain predicted by quantum Monte Carlo
Published 2023-09-01“…Here we show, using state-of-the-art quantum Monte Carlo (QMC) methods, that a single phosphorene monolayer exhibits outstanding straintronics functionalities due to discovered colossal strain tunability of its semiconducting electronic gap. …”
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48
Classical and quantum cost of measurement strategies for quantum-enhanced auxiliary field quantum Monte Carlo
Published 2024-01-01“…Quantum-enhanced auxiliary field quantum Monte Carlo (QC-AFQMC) uses output from a quantum computer to increase the accuracy of its classical counterpart. …”
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49
Quantum Monte Carlo detection of SU(2) symmetry breaking in the participation entropies of line subsystems
Published 2017-03-01“…Using quantum Monte Carlo simulations, we compute the participation (Shannon-R\'enyi) entropies for groundstate wave functions of Heisenberg antiferromagnets for one-dimensional (line) subsystems of length $L$ embedded in two-dimensional ($L\times L$) square lattices. …”
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50
Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations
Published 2023“…Variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrowbackflow trial wave functions are used to study the spin-polarized three-dimensional uniform electron fluid. …”
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51
Pseudo-BCS wave function from density matrix decomposition: Application in auxiliary-field quantum Monte Carlo
Published 2021-01-01“…One application of the pseudo-BCS wave function is in auxiliary-field quantum Monte Carlo (AFQMC) calculations as the trial wave function to control the sign/phase problem. …”
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52
Quantum symmetrization transition in superconducting sulfur hydride from quantum Monte Carlo and path integral molecular dynamics
Published 2024-03-01“…Here, we estimate the critical pressure of the hydrogen bond symmetrization in the Im $$\bar{3}$$ 3 ¯ m structure, by combining density functional theory and quantum Monte Carlo simulations for electrons with path integral molecular dynamics for quantum nuclei. …”
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53
A Field-Theoretical Approach to the P vs. NP Problem via the Phase Sign of Quantum Monte Carlo
Published 2017-10-01Subjects: “…quantum monte carlo…”
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54
Entanglement at a two-dimensional quantum critical point: a T = 0 projector quantum Monte Carlo study
Published 2013-01-01“…In this paper, we use large-scale T = 0 quantum Monte Carlo simulations to examine in detail the second Rényi entropy of entangled regions at the QCP in the transverse-field Ising model in 2 + 1 space–time dimensions—a fixed point for which there is no exact result for the scaling of entanglement entropy. …”
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Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies
Published 2018“…In this work, we evaluate the use of quantum Monte Carlo (QMC) to calculate material formation energies in a high-throughput environment. …”
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The ALF (Algorithms for Lattice Fermions) project release 1.0. Documentation for the auxiliary field quantum Monte Carlo code
Published 2017-08-01“…The Algorithms for Lattice Fermions package provides a general code for the finite temperature auxiliary field quantum Monte Carlo algorithm. The code is engineered to be able to simulate any model that can be written in terms of sums of single-body operators, of squares of single-body operators and single-body operators coupled to an Ising field with given dynamics. …”
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Many-Body Quantum Monte Carlo Study of 2D Materials: Cohesion and Band Gap in Single-Layer Phosphorene
Published 2019-01-01“…The quantum Monte Carlo (QMC) method is applied to obtain the fundamental (quasiparticle) electronic band gap Δ_{f} of a semiconducting two-dimensional phosphorene whose optical and electronic properties fill the void between graphene and 2D transition-metal dichalcogenides. …”
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Fermion-sign-free Majarana-quantum-Monte-Carlo studies of quantum critical phenomena of Dirac fermions in two dimensions
Published 2015-01-01Subjects: Get full text
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60
Charge Density and Redox Potential of LiNiO 2 Using Ab Initio Diffusion Quantum Monte Carlo
Published 2021“…We investigate the charge densities, lithium intercalation potentials, and Li-diffusion barrier energies of LixNiO2 (0.0 < x < 1.0) system using the diffusion quantum Monte Carlo (DMC) method. We find an average redox potential of 4.1(2) eV and a Li-diffusion barrier energy of 0.39(3) eV with DMC. …”
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