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Showing 1 to 20 of 105 for “"Quantum Monte Carlo"”.
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Pairing and entanglement: quantum Monte Carlo studies
Described in this dissertation is the use of quantum Monte Carlo methods to study two ideas in quantum many-body problems: superfluidity and entanglement. Density matrices are presented a central tool in the analysis, as are discussed in the review of path integral Monte Carlo (PIMC) and …
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Improved wave functions for quantum Monte Carlo
Quantum Monte Carlo (QMC) methods can yield highly accurate energies for correlated quantum systems. QMC calculations based on many-body wave functions are considerably more accurate than density functional theory methods, and their accuracy rivals that of the most sophisticated quantum chemistry …
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Quantum Monte Carlo study of low dimensional materials
… which have rarely or never been studied using quantum Monte Carlo methods. It begins with an investigation into weak van der Waals-like interactions in bilayer graphene and extends to graphene placed on top of boron nitride at four different stacking configurations. The in-plane optical phonon …
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Novel Quantum Monte Carlo Approaches for Quantum Liquids
Quantum Monte Carlo methods are a powerful suite of techniques for solving the quantum many-body problem. By using random numbers to stochastically sample quantum properties, QMC methods are capable of studying low-temperature quantum systems well beyond the reach of conventional deterministic …
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Quantum Monte Carlo With a *Stochastic Poisson Solver
"Quantum Monte Carlo (QMC) is an extremely powerful method to treat many-body systems. Usually QMC has been applied in cases where the interaction potential has a simple analytic form, like the 1/r Coulomb potential. However, in a complicated environment as in a semiconductor heterostructure, the …
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Strongly Correlated Systems Approach Through Quantum Monte Carlo
… sparsity of the matrices that are used in the quantum wave functions that represent these insulators.
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Quantum Monte Carlo simulations of electrons and holes
… We study systems of electrons and holes with quantum Monte Carlo (QMC) techniques, covering three related areas: (1) elastic scattering of excitons, (2) thermodynamics of electron-hole plasmas, and (3) electrons confined in a quantum dot. Excitons are bound states of an electron and a hole, …
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Quantum monte carlo with a stochastic potential solver
"Quantum Monte Carlo (QMC) is an extremely powerful method to treat many-body systems. Usually QMC has been applied in cases where the interaction potential has a simple analytic form, like the 1=r Coulomb potential. However, in a complicated environment as in a semiconductor heterostructure, the …
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Quantum Monte Carlo study of correlated electronic systems
… in computational condensed-matter physics. Quantum Monte Carlo, a powerful computational tool for the study of correlated systems, solves electron correlation problems explicitly. It has been taken as a benchmark method for understanding the correlated systems. Instead of making …
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Quantum Monte Carlo Developments For Discrete And Continuous Spaces
… research projects related to zero temperature quantum Monte Carlo. Chapters 2-4 focus on continuum quantum Monte Carlo, and specifically its application to molecular systems; whereas Chapter 5 focuses on quantum Monte Carlo in a discrete space. Chapter 2 focuses on improving upon the …
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Quantum Monte Carlo for accurate energies and materials design
Quantum Monte Carlo (QMC) is an electronic structure calculation method that is capable of calculating incredibly accurate solutions of Schrödinger equation of quantum mechanics for real systems. However, QMC is computationally very expensive compared to density functional theory (DFT) method, such …
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A Quantum Monte Carlo approach to dark matter-nuclei interaction
Using quantum Monte Carlo Methods, we compute the differential cross sections for elastic scattering of dark matter (DM) particles off light nuclei, up to $A=6$ (d, $^3$H, $^3$He, $^4$He, and $^6$Li). DM-nucleon one- and two-body currents are obtained to next-to-leading order in chiral effective …
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First principles quantum Monte Carlo study of correlated electronic systems
… superconductivity, superfluidity, fractional quantum Hall effect, and Mott insulator. Strongly correlated systems have been an important subject of condensed matter physics for several decades, especially after the discovery of high temperature cuprate superconductors. In this thesis, we apply …
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Quantum Monte Carlo Calucations Of Three And Six-Quark States
Quantum Monte Carlo techniques are applied to quark descriptions of single baryon and nuclear systems using a non-relativistic constituent quark model Hamiltonian. The assumed interaction includes a three-body term arising due to flux-tube confinement, and two-body interactions arising from …
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High-accuracy electronic structure quantum Monte Carlo for molecular systems
Quantum Monte Carlo (QMC) is one of the most promising methods for solving quantum many-body problems. QMC combines known analytical properties of wave functions, results from other methods, and stochastic techniques, into a powerful tool for investigation of the electronic structure of real …
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A quantum Monte Carlo study of pseudopotentials and metal surfaces
Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Howard Ding (hding2@illinois.edu) on 2011-05-07T15:01:26Z Item is restricted indefinitely.
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Backflow and pairing wave function for quantum Monte Carlo methods
Quantum Monte Carlo (QMC) methods are a class of stochastic techniques that can be used to compute the properties of electronic systems accurately from first principles. This thesis is mainly concerned with the development of trial wave functions for QMC. An extension of the backflow transformation …
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Application of quantum Monte Carlo methods to molecular potential energy surfaces
… parallelized is a computational technique called quantum Monte Carlo (QMC). QMC methods scale with the number of electrons as n<sup>3</sup> and have been found to scale almost linearly with the number of processors, even beyond 500,000 cores. However, despite the favorable scaling towards large …
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Application of quantum Monte Carlo methods to excitonic and electronic systems
… with the application and development of quantum Monte Carlo (QMC) methods. We begin by proposing a technique to maximise the efficiency of the extrapolation of DMC results to zero time step, finding that a relative time step ratio of 1:4 is optimal. We discuss the post-processing of QMC …
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