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Готові списки джерел за темами / Quantum Monte Carlo Technique

Добірка наукової літератури з теми "Quantum Monte Carlo Technique"

Автор: Grafiati

Опубліковано: 7 вересня 2023

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Статті в журналах з теми "Quantum Monte Carlo Technique"

1

Marcu, Mihail, and Jürgen Müller. "Variance reduction technique for quantum Monte Carlo simulations." Physics Letters A 119, no. 3 (December 1986): 130–32. http://dx.doi.org/10.1016/0375-9601(86)90430-5.

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2

Jacoboni, C., P. Lugli, R. Brunetti, and L. Reggiani. "A Monte Carlo technique for quantum transport in semiconductors." Superlattices and Microstructures 2, no. 3 (January 1986): 209–12. http://dx.doi.org/10.1016/0749-6036(86)90021-2.

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3

Montanaro, Ashley. "Quantum speedup of Monte Carlo methods." Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 471, no. 2181 (September 2015): 20150301. http://dx.doi.org/10.1098/rspa.2015.0301.

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Monte Carlo methods use random sampling to estimate numerical quantities which are hard to compute deterministically. One important example is the use in statistical physics of rapidly mixing Markov chains to approximately compute partition functions. In this work, we describe a quantum algorithm which can accelerate Monte Carlo methods in a very general setting. The algorithm estimates the expected output value of an arbitrary randomized or quantum subroutine with bounded variance, achieving a near-quadratic speedup over the best possible classical algorithm. Combining the algorithm with the use of quantum walks gives a quantum speedup of the fastest known classical algorithms with rigorous performance bounds for computing partition functions, which use multiple-stage Markov chain Monte Carlo techniques. The quantum algorithm can also be used to estimate the total variation distance between probability distributions efficiently.

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4

GUBERNATIS, J. E., and W. R. SOMSKY. "PARALLELIZATION OF THE WORLDLINE QUANTUM MONTE CARLO METHOD." International Journal of Modern Physics C 03, no. 01 (February 1992): 61–78. http://dx.doi.org/10.1142/s0129183192000063.

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The worldline quantum Monte Carlo method is a computational technique for studying the properties of many-electron and quantum-spin systems. In this paper, we describe our efforts in developing an efficient implementation of this method for the massively-parallel Connection Machine CM-2. We discuss why one must look beyond the obvious parallelism in the method in order to reduce interprocessor communication and increase processor utilization, and how these goals may be achieved using a plaquette-based data representation. We also present performance statistics for our implementation and sample calculations for the spinless fermion model.

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5

Moodley, Mervlyn. "The Lognormal Distribution and Quantum Monte Carlo Data." Communications in Computational Physics 15, no. 5 (May 2014): 1352–67. http://dx.doi.org/10.4208/cicp.190313.171013a.

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AbstractQuantum Monte Carlo data are often afflicted with distributions that resemble lognormal probability distributions and consequently their statistical analysis cannot be based on simple Gaussian assumptions. To this extent a method is introduced to estimate these distributions and thus give better estimates to errors associated with them. This method entails reconstructing the probability distribution of a set of data, with given mean and variance, that has been assumed to be lognormal prior to undergoing a blocking or renormalization transformation. In doing so, we perform a numerical evaluation of the renormalized sum of lognormal random variables. This technique is applied to a simple quantum model utilizing the single-thread Monte Carlo algorithm to estimate the ground state energy or dominant eigenvalue of a Hamiltonian matrix.

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6

Berg, Erez, Samuel Lederer, Yoni Schattner, and Simon Trebst. "Monte Carlo Studies of Quantum Critical Metals." Annual Review of Condensed Matter Physics 10, no. 1 (March 10, 2019): 63–84. http://dx.doi.org/10.1146/annurev-conmatphys-031218-013339.

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Metallic quantum critical phenomena are believed to play a key role in many strongly correlated materials, including high-temperature superconductors. Theoretically, the problem of quantum criticality in the presence of a Fermi surface has proven to be highly challenging. However, it has recently been realized that many models used to describe such systems are amenable to numerically exact solution by quantum Monte Carlo (QMC) techniques, without suffering from the fermion sign problem. In this review, we examine the status of the understanding of metallic quantum criticality and the recent progress made by QMC simulations. We focus on the cases of spin-density wave and Ising nematic criticality. We describe the results obtained so far and their implications for superconductivity, non-Fermi liquid behavior, and transport near metallic quantum critical points. Some of the outstanding puzzles and future directions are highlighted.

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7

Jiang, Weilun, Gaopei Pan, Yuzhi Liu, and Zi-Yang Meng. "Solving quantum rotor model with different Monte Carlo techniques." Chinese Physics B 31, no. 4 (April 1, 2022): 040504. http://dx.doi.org/10.1088/1674-1056/ac4f52.

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We systematically test the performance of several Monte Carlo update schemes for the (2 + 1)d XY phase transition of quantum rotor model. By comparing the local Metropolis (LM), LM plus over-relaxation (OR), Wolff-cluster (WC), hybrid Monte Carlo (HM), hybrid Monte Carlo with Fourier acceleration (FA) schemes, it is clear that among the five different update schemes, at the quantum critical point, the WC and FA schemes acquire the smallest autocorrelation time and cost the least amount of CPU hours in achieving the same level of relative error, and FA enjoys a further advantage of easily implementable for more complicated interactions such as the long-range ones. These results bestow one with the necessary knowledge of extending the quantum rotor model, which plays the role of ferromagnetic/antiferromagnetic critical bosons or Z 2 topological order, to more realistic and yet challenging models such as Fermi surface Yukawa-coupled to quantum rotor models.

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8

Alfè, D., and M. J. Gillan. "Linear-scaling quantum Monte Carlo technique with non-orthogonal localized orbitals." Journal of Physics: Condensed Matter 16, no. 25 (June 8, 2004): L305—L311. http://dx.doi.org/10.1088/0953-8984/16/25/l01.

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9

Rai, R. K., R. B. Ray, G. C. Kaphle, and O. P. Niraula. "A Continuous Time Quantum Monte Carlo as an Impurity Solver for Strongly Correlated System." Journal of Nepal Physical Society 7, no. 3 (December 31, 2021): 14–26. http://dx.doi.org/10.3126/jnphyssoc.v7i3.42185.

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We assess the continuous-time quantum Monte Carlo (CT-QMC) technique with hybridization expansion for solvingthe electronic structure of the strongly correlated system LaxSr1−xVO3 . The impurity solver method implemented here shows the fair agreement with the other available Monte Carlo techniques. From the study, it is found that the CT-QMC technique clearly distinguishes metallic phase, quasiparticle phase and insulating phases of the system depending upon the strength of the correlation. In case of La0.33Sr0.67VO3 system the metal-insulator transition is found to be at U = 4.5 eV for β = 6(eV)−1. The value of U depends with the value of β, and also the value of Hund’s coupling (J) and bandwidth (W). This technique allows the particle to exchange with the reservoir of the particles and the impurity sites, which is accounted numerically to treat the temporal fluctuation of the fermionic systems termed as dynamical mean field theory (DMFT). This theory is used to explain the phenomena of MottHubbard metal insulator transition of the materials which are applicable for designing the Mottronics, Neuromorphic computing, Quantum computing and resistive memory devices.

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10

Dowling, Mark R., Matthew J. Davis, Peter D. Drummond, and Joel F. Corney. "Monte Carlo techniques for real-time quantum dynamics." Journal of Computational Physics 220, no. 2 (January 2007): 549–67. http://dx.doi.org/10.1016/j.jcp.2006.05.017.

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Дисертації з теми "Quantum Monte Carlo Technique"

1

Kent, Paul Richard Charles. "Techniques and applications of quantum Monte Carlo." Thesis, University of Cambridge, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.624448.

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2

Creffield, Charles Edward. "The application of numerical techniques to models of strongly correlated electrons." Thesis, King's College London (University of London), 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.266066.

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3

Gbedo, Yémalin Gabin. "Les techniques Monte Carlo par chaînes de Markov appliquées à la détermination des distributions de partons." Thesis, Université Grenoble Alpes (ComUE), 2017. http://www.theses.fr/2017GREAY059/document.

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Анотація:

Nous avons développé une nouvelle approche basée sur les méthodes Monte Carlo par chaînes de Markov pour déterminer les distributions de Partons et quantifier leurs incertitudes expérimentales. L’intérêt principal d’une telle étude repose sur la possibilité de remplacer la minimisation standard avec MINUIT de la fonction χ 2 par des procédures fondées sur les méthodes Statistiques et sur l’inférence Bayésienne en particulier,offrant ainsi une meilleure compréhension de la détermination des distributions de partons. Après avoir examiné ces techniques Monte Carlo par chaînes de Markov, nous introduisons l’algorithme que nous avons choisi de mettre en œuvre, à savoir le Monte Carlo hybride (ou Hamiltonien). Cet algorithme, développé initialement pour la chromodynamique quantique sur réseau, s’avère très intéressant lorsqu’il est appliqué à la détermination des distributions de partons par des analyses globales. Nous avons montré qu’il permet de contourner les difficultés techniques dues à la grande dimensionnalité du problème, en particulier celle relative au taux d’acceptation. L’étude de faisabilité réalisée et présentée dans cette thèse indique que la méthode Monte Carlo par chaînes de Markov peut être appliquée avec succès à l’extraction des distributions de partons et à leurs in-certitudes expérimentales
We have developed a new approach to determine parton distribution functions and quantify their experimental uncertainties, based on Markov Chain Monte Carlo methods.The main interest devoted to such a study is that we can replace the standard χ 2 MINUIT minimization by procedures grounded on Statistical Methods, and on Bayesian inference in particular, thus offering additional insight into the rich field of PDFs determination.After reviewing these Markov chain Monte Carlo techniques, we introduce the algorithm we have chosen to implement – namely Hybrid (or Hamiltonian) Monte Carlo. This algorithm, initially developed for lattice quantum chromodynamique, turns out to be very interesting when applied to parton distribution functions determination by global analyses ; we have shown that it allows to circumvent the technical difficulties due to the high dimensionality of the problem, in particular concerning the acceptance rate. The feasibility study performed and presented in this thesis, indicates that Markov chain Monte Carlo method can successfully be applied to the extraction of PDFs and of their experimental uncertainties

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4

Badinski, Alexander Nikolai. "Forces in quantum Monte Carlo." Thesis, University of Cambridge, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.612494.

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5

Waidacher, Christoph. "Charge properties of cuprates: ground state and excitations." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2000. http://nbn-resolving.de/urn:nbn:de:swb:14-998985918593-73513.

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This thesis analyzes charge properties of (undoped) cuprate compounds from a theoretical point of view. The central question considered here is: How does the dimensionality of the CU-O sub-structure influence its charge degrees of freedom? The model used to describe the Cu-O sub-structure is the three- (or multi-) band Hubbard model. Analytical approaches are employed (ground-state formalism for strongly correlated systems, Mori-Zwanzig projection technique) as well as numerical simulations (Projector Quantum Monte Carlo, exact diagonalization). Several results are compared to experimental data. The following materials have been chosen as candidates to represent different Cu-O sub-structures: Bi2CuO4 (isolated CuO4 plaquettes), Li2CuO2 (chains of edge-sharing plaquettes), Sr2CuO3 (chains of corner-sharing plaquettes), and Sr2CuO2Cl2 (planes of plaquettes). Several results presented in this thesis are valid for other cuprates as well. Two different aspects of charge properties are analyzed: 1) Charge properties of the ground state 2) Charge excitations. (gekürzte Fassung)

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6

Hine, Nicholas. "New applications of quantum Monte Carlo." Thesis, Imperial College London, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.446023.

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7

Poole, Thomas. "Calculating derivatives within quantum Monte Carlo." Thesis, Imperial College London, 2014. http://hdl.handle.net/10044/1/29359.

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Quantum Monte Carlo (QMC) methods are powerful, stochastic techniques for computing the properties of interacting electrons and nuclei with an accuracy comparable to the standard post-Hartree--Fock methods of quantum chemistry. Whilst the favourable scaling of QMC methods enables a quantum, many-body treatment of much larger systems, the lack of accurate and efficient total energy derivatives, required to compute atomic forces, has hindered their widespread adoption. The work contained within this thesis provides an efficient procedure for calculating exact derivatives of QMC results. This procedure uses the programming technique of algorithmic differentiation (AD), which allows access to the derivatives of a computed function by applying chain rule differentiation to the underlying source code. However, this thesis shows that a straightforward differentiation of a stochastic function fails to capture the important contribution to the derivative from probabilistic decisions. A general approach for calculating the derivatives of a stochastic function is presented, where a similar adaptation of AD applied to the diffusion Monte Carlo (DMC) algorithm yields exact DMC atomic forces. The approach is validated by performing the largest ever DMC force calculations, which demonstrate the feasibility of treating systems containing thousands of electrons. The efficiency of AD also enables molecular dynamics simulations driven entirely by DMC, adding new functionality to the QMC toolkit. Another focus of this thesis is using the phenomenon of stochastic coherence to correlate DMC simulations, allowing finite difference derivatives to be obtained with a small error. Whilst this method is far easier to implement than AD, preliminary results show an instability when treating larger systems. A different approach is obtained from extrapolating this method to a finite difference step size of zero, producing algebraic expressions for a direct differentiation of the DMC algorithm.

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8

Waidacher, Christoph. "Charge properties of cuprates: ground state and excitations." Doctoral thesis, Technische Universität Dresden, 1999. https://tud.qucosa.de/id/qucosa%3A24786.

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Анотація:

This thesis analyzes charge properties of (undoped) cuprate compounds from a theoretical point of view. The central question considered here is: How does the dimensionality of the CU-O sub-structure influence its charge degrees of freedom? The model used to describe the Cu-O sub-structure is the three- (or multi-) band Hubbard model. Analytical approaches are employed (ground-state formalism for strongly correlated systems, Mori-Zwanzig projection technique) as well as numerical simulations (Projector Quantum Monte Carlo, exact diagonalization). Several results are compared to experimental data. The following materials have been chosen as candidates to represent different Cu-O sub-structures: Bi2CuO4 (isolated CuO4 plaquettes), Li2CuO2 (chains of edge-sharing plaquettes), Sr2CuO3 (chains of corner-sharing plaquettes), and Sr2CuO2Cl2 (planes of plaquettes). Several results presented in this thesis are valid for other cuprates as well. Two different aspects of charge properties are analyzed: 1) Charge properties of the ground state 2) Charge excitations. (gekürzte Fassung)

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9

Seth, Priyanka. "Improved wave functions for quantum Monte Carlo." Thesis, University of Cambridge, 2013. https://www.repository.cam.ac.uk/handle/1810/244333.

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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 methods. This thesis is concerned with the development of improved wave function forms and their use in performing highly-accurate quantum Monte Carlo calculations. All-electron variational and diffusion Monte Carlo (VMC and DMC) calculations are performed for the first-row atoms and singly-positive ions. Over 98% of the correlation energy is retrieved at the VMC level and over 99% at the DMC level for all the atoms and ions. Their first ionization potentials are calculated within chemical accuracy. Scalar relativistic corrections to the energies, mass-polarization terms, and one- and two-electron expectation values are also evaluated. A form for the electron and intracule densities is presented and fits to this form are performed. Typical Jastrow factors used in quantum Monte Carlo calculations comprise electron-electron, electron-nucleus and electron-electron-nucleus terms. A general Jastrow factor capable of correlating an arbitrary of number of electrons and nuclei, and including anisotropy is outlined. Terms that depend on the relative orientation of electrons are also introduced and applied. This Jastrow factor is applied to electron gases, atoms and molecules and is found to give significant improvement at both VMC and DMC levels. Similar generalizations to backflow transformations will allow useful additional variational freedom in the wave function. In particular, the use of different backflow functions for different orbitals is expected to be important in systems where the orbitals are qualitatively different. The modifications to the code necessary to accommodate orbital-dependent backflow functions are described and some systems in which they are expected to be important are suggested.

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10

Leung, Wing-Kai. "Applications of continuum quantum Monte Carlo methods." Thesis, University of Cambridge, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.411231.

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Книги з теми "Quantum Monte Carlo Technique"

1

Schattke, Wolfgang, and Ricardo Díez Muiño. Quantum Monte Carlo Programming. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527676729.

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2

Anderson, James B., and Stuart M. Rothstein, eds. Advances in Quantum Monte Carlo. Washington, DC: American Chemical Society, 2006. http://dx.doi.org/10.1021/bk-2007-0953.

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3

Tanaka, Shigenori, Stuart M. Rothstein, and William A. Lester, eds. Advances in Quantum Monte Carlo. Washington, DC: American Chemical Society, 2012. http://dx.doi.org/10.1021/bk-2012-1094.

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4

American Chemical Society. Division of Physical Chemistry, ed. Advances in quantum Monte Carlo. Washington, DC: American Chemical Society, 2012.

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5

1935-, Anderson James B., and Rothstein Stuart M, eds. Advances in quantum Monte Carlo. Washington, DC: American Chemical Society, 2007.

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6

Rubenstein, Brenda M. Novel Quantum Monte Carlo Approaches for Quantum Liquids. [New York, N.Y.?]: [publisher not identified], 2013.

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7

1935-, Anderson James B., ed. Quantum Monte Carlo: Origins, development, applications. New York: Oxford University Press, 2006.

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8

Tanaka, Shigenori, Pierre-Nicholas Roy, and Lubos Mitas, eds. Recent Progress in Quantum Monte Carlo. Washington, DC: American Chemical Society, 2016. http://dx.doi.org/10.1021/bk-2016-1234.

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9

Henryk, Woźniakowski, and SpringerLink (Online service), eds. Monte Carlo and Quasi-Monte Carlo Methods 2010. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012.

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10

A, Lester William, Rothstein Stuart M, and Tanaka Shigenori, eds. Recent advances in quantum Monte Carlo methods. Singapore: World Scientific Pub.Co., 2002.

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Частини книг з теми "Quantum Monte Carlo Technique"

1

Schmidt, Kevin E., and David M. Ceperley. "Monte Carlo techniques for quantum fluids, solids and droplets." In The Monte Carlo Method in Condensed Matter Physics, 205–48. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/3-540-60174-0_7.

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2

Schmidt, Kevin E., and David M. Ceperley. "Monte Carlo Techniques for Quantum Fluids, Solids and Droplets." In The Monte Carlo Method in Condensed Matter Physics, 205–48. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-662-02855-1_7.

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3

Brown, Ethan, Miguel A. Morales, Carlo Pierleoni, and David Ceperley. "Quantum Monte Carlo Techniques and Applications for Warm Dense Matter." In Lecture Notes in Computational Science and Engineering, 123–49. Cham: Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-04912-0_5.

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4

Scalapino, D. J. "Quantum Monte Carlo." In Springer Series in Solid-State Sciences, 194–202. Berlin, Heidelberg: Springer Berlin Heidelberg, 1987. http://dx.doi.org/10.1007/978-3-642-83033-4_20.

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5

Mølmer, Klaus, and Yvan Castin. "Monte Carlo Wavefunctions." In Coherence and Quantum Optics VII, 193–202. Boston, MA: Springer US, 1996. http://dx.doi.org/10.1007/978-1-4757-9742-8_24.

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6

Fahy, S. "Quantum Monte Carlo Methods." In The Kluwer International Series in Engineering and Computer Science, 67–81. Boston, MA: Springer US, 1996. http://dx.doi.org/10.1007/978-1-4613-0461-6_6.

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7

Baroni, Stefano, and Saverio Moroni. "Reptation Quantum Monte Carlo." In Quantum Monte Carlo Methods in Physics and Chemistry, 313–41. Dordrecht: Springer Netherlands, 1999. http://dx.doi.org/10.1007/978-94-011-4792-7_12.

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8

Dzierzawa, M., and X. Zotos. "Quantum Monte Carlo Methods." In Applications of Statistical and Field Theory Methods to Condensed Matter, 273–80. Boston, MA: Springer US, 1990. http://dx.doi.org/10.1007/978-1-4684-5763-6_24.

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9

Kalos, Malvin H., and Francesco Pederiva. "Fermion Monte Carlo." In Quantum Monte Carlo Methods in Physics and Chemistry, 263–86. Dordrecht: Springer Netherlands, 1999. http://dx.doi.org/10.1007/978-94-011-4792-7_10.

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10

Mitas, Lubos. "Diffusion Monte Carlo." In Quantum Monte Carlo Methods in Physics and Chemistry, 247–61. Dordrecht: Springer Netherlands, 1999. http://dx.doi.org/10.1007/978-94-011-4792-7_9.

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Тези доповідей конференцій з теми "Quantum Monte Carlo Technique"

1

VIEL, ALEXANDRA, and K. BIRGITTA WHALEY. "STRUCTURE AND SPECTROSCOPY OF DOPED HELIUM CLUSTERS USING QUANTUM MONTE CARLO TECHNIQUES." In Proceedings of the 11th International Conference. WORLD SCIENTIFIC, 2002. http://dx.doi.org/10.1142/9789812777843_0036.

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2

Sankaran, Vasu, and Jasprit Singh. "Quantum Transport of an Electron Wavepacket across a Heterostructure Discontinuity – Applications in the GaAs/AlGaAs Heterostructure." In Picosecond Electronics and Optoelectronics. Washington, D.C.: Optica Publishing Group, 1991. http://dx.doi.org/10.1364/peo.1991.we6.

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Theoretical techniques used to study time dependent electron transport in heterostructures use one or more of the following approximations: i) In Monte Carlo methods the electron is described as a point particle whose transport properties (such as effective mass, scattering rates, etc.) change abruptly when it moves across a boundary. As the electron moves across a boundary, the role of central cell symmetries (i.e., Γ, X, L character) is suppressed; ii) In time dependent quantum description, once again the electron wavepacket is assumed to abruptly see different material properties across a discontinuity. Moreover, the quantum description usually employs a one band effective mass equation that implicitly assumes that the character of the Bloch function is not significantly altered across the regions. The first approach is valid for heterostructures where electrons travel ≈ 1000 Å in each region and where the valley order is not altered across the heterostructure. The second approach is required in heterostructures of dimension ≈ 50 Å where the effects of quantum confinement are important, but where the central cell symmetry is again unchanged across the heterostructure.

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3

Albuquerque, Ana Carolina Ferreira de, José Walkimar de Mesquita Carneiro, and Fernando Martins dos Santos Junior. "Estudo do tautomerismo ceto-enólico da 7-epi-clusianona através de cálculos teóricos de deslocamentos químicos de RMN." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202063.

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The properties of natural products, including their biological and pharmacological activities, are directly correlated with their chemical structures. Thus, a correct structural characterization of these compounds is a crucial step to the understanding of their biological activities. However, despite the recent advances in spectroscopic techniques, structural studies of natural products can be challenging. This way, theoretical calculations of Nuclear Magnetic Resonance (NMR) parameters (such as chemical shifts and coupling constants) have proven to be a powerful and low-cost tool for the aid to experimental techniques traditionally used for the structural characterization of natural products. One of the several applications of quantum-mechanical calculations of NMR parameters is the study of tautomerism. Since chemical shifts are sensitive to the tautomeric equilibrium, this technique can provide crucial informations. In this work, it was applied a protocol for theoretical calculations of ¹³C chemical shifts in order to study the tautomerism of the natural product 7-epi-clusianone, isolated from Rheedia gardneriana. This protocol consists in a Monte Carlo conformational search, followed by geometry optimization and shielding tensors calculations, both using a density functional level of theory. After comparison of theoretical and experimental data, it was possible to confirm the two tautomers present in equilibrium in the experimental solution. Furthermore, this study highlights how this theoretical protocol can be an effective method in identifying the preferred tautomeric form in solution.

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Troyer, Matthias, Philipp Werner, Adolfo Avella, and Ferdinando Mancini. "Quantum Monte Carlo Simulations." In LECTURES ON THE PHYSICS OF STRONGLY CORRELATED SYSTEMS XIII: Thirteenth Training Course in the Physics of Strongly Correlated Systems. AIP, 2009. http://dx.doi.org/10.1063/1.3225490.

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FANTONI, STEFANO, ANTONIO SARSA, and KEVIN E. SCHMIDT. "QUANTUM MONTE CARLO FOR NUCLEAR ASTROPHYSICS." In Proceedings of a Meeting Held in the Framework of the Activities of GISELDA, the Italian Working Group on Strong Interactions. WORLD SCIENTIFIC, 2002. http://dx.doi.org/10.1142/9789812776532_0012.

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Oriols, X. "Monte Carlo Simulation of Quantum Noise." In NOISE AND FLUCTUATIONS: 18th International Conference on Noise and Fluctuations - ICNF 2005. AIP, 2005. http://dx.doi.org/10.1063/1.2036861.

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Pandharipande, V. R. "Quantum Monte Carlo calculations of nuclei." In Bates 25: celebrating 25 years of beam to experiment. AIP, 2000. http://dx.doi.org/10.1063/1.1291499.

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Zhang, Shiwei, and M. H. Kalos. "Exact Monte Carlo for few-electron systems." In Computational quantum physics. AIP, 1992. http://dx.doi.org/10.1063/1.42615.

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Geiger, Klaus, and Berndt Müller. "Quark-gluon transport theory: A Monte-Carlo simulation." In Computational quantum physics. AIP, 1992. http://dx.doi.org/10.1063/1.42601.

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COLLETTI, L., F. PEDERIVA, E. LIPPARINI, and C. J. UMRIGAR. "POLARIZABILITY IN QUANTUM DOTS VIA CORRELATED QUANTUM MONTE CARLO." In Proceedings of the 14th International Conference. WORLD SCIENTIFIC, 2008. http://dx.doi.org/10.1142/9789812779885_0028.

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Звіти організацій з теми "Quantum Monte Carlo Technique"

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Brown, W. R. Quantum Monte Carlo for vibrating molecules. Office of Scientific and Technical Information (OSTI), August 1996. http://dx.doi.org/10.2172/414375.

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Williams, Timothy J., Ramesh Balakrishnan, Steven C. Pieper, Alessandro Lovato, Ewing Lusk, Maria Piarulli, and Robert Wiringa. Quantum Monte Carlo Calculations in Nuclear Theory. Office of Scientific and Technical Information (OSTI), September 2017. http://dx.doi.org/10.2172/1483999.

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David Ceperley. Quantum Monte Carlo Endstation for Petascale Computing. Office of Scientific and Technical Information (OSTI), March 2011. http://dx.doi.org/10.2172/1007216.

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Wiringa, R. B. Quantum Monte Carlo calculations for light nuclei. Office of Scientific and Technical Information (OSTI), October 1997. http://dx.doi.org/10.2172/554896.

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Mitas, Lubos. Quantum Monte Carlo Endstation for Petascale Computing. Office of Scientific and Technical Information (OSTI), January 2011. http://dx.doi.org/10.2172/1003876.

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Barnett, R. N. Quantum Monte Carlo for atoms and molecules. Office of Scientific and Technical Information (OSTI), November 1989. http://dx.doi.org/10.2172/7040202.

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Engelhardt, Larry. Quantum Monte Carlo Calculations Applied to Magnetic Molecules. Office of Scientific and Technical Information (OSTI), January 2006. http://dx.doi.org/10.2172/892729.

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Ashok Srinivasan. Random Number Generation for Petascale Quantum Monte Carlo. Office of Scientific and Technical Information (OSTI), March 2010. http://dx.doi.org/10.2172/973573.

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Owen, Richard Kent. Quantum Monte Carlo methods and lithium cluster properties. Office of Scientific and Technical Information (OSTI), December 1990. http://dx.doi.org/10.2172/10180548.

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Mei-Yin Chou. Quantum Monte-Carlo Study of Electron Correlation in Heterostructure Quantum Dots. Office of Scientific and Technical Information (OSTI), November 2006. http://dx.doi.org/10.2172/894945.

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