Results 1 to 10 of about 489,695 (73)
Quantum Gibbs ensemble Monte Carlo [PDF]
J. Chem. Phys. 141, 114110 (2014), 2014 We present a path integral Monte Carlo method which is the full quantum analogue of the Gibbs ensemble Monte Carlo method of Panagiotopoulos to study the gas-liquid coexistence line of a classical fluid. Unlike previous extensions of Gibbs ensemble Monte Carlo to include quantum effects, our scheme is viable even for systems with strong quantum ...
Fantoni Riccardo, Moroni Saverio
arxiv +8 more sources
Quantum Ice: A Quantum Monte Carlo Study [PDF]
Physical Review Letters, 2012 Ice states, in which frustrated interactions lead to a macroscopic ground-state degeneracy, occur in water ice, in problems of frustrated charge order on the pyrochlore lattice, and in the family of rare-earth magnets collectively known as spin ice. Of particular interest at the moment are "quantum spin ice" materials, where large quantum fluctuations ...
Olga Sikora +5 more
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Quantum Monte Carlo with directed loops [PDF]
Physical Review E, 2002 We introduce the concept of directed loops in stochastic series expansion and path integral quantum Monte Carlo methods. Using the detailed balance rules for directed loops, we show that it is possible to smoothly connect generally applicable simulation schemes (in which it is necessary to include back-tracking processes in the loop construction) to ...
Olav F. Syljuåsen, Anders W. Sandvik
openaire +4 more sources
Quantum Monte Carlo with variable spins [PDF]
The Journal of Chemical Physics, 2016 We investigate the inclusion of variable spins in electronic structure quantum Monte Carlo, with a focus on diffusion Monte Carlo with Hamiltonians that include spin-orbit interactions. Following our previous introduction of fixed-phase spin-orbit diffusion Monte Carlo, we thoroughly discuss the details of the method and elaborate upon its ...
Cody A. Melton +2 more
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Monte Carlo simulation of quantum computation [PDF]
Mathematics and Computers in Simulation, 1998 The many-body dynamics of a quantum computer can be reduced to the time evolution of non-interacting quantum bits in auxiliary fields by use of the Hubbard-Stratonovich representation of two-bit quantum gates in terms of one-bit gates. This makes it possible to perform the stochastic simulation of a quantum algorithm, based on the Monte Carlo ...
Cerf, Nicolas, Koonin, S. E.
openaire +3 more sources
Quantum Monte Carlo simulation [PDF]
The Annals of Applied Statistics, 2011 Contemporary scientific studies often rely on the understanding of complex quantum systems via computer simulation. This paper initiates the statistical study of quantum simulation and proposes a Monte Carlo method for estimating analytically intractable quantities.
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Multiworm algorithm quantum Monte Carlo [PDF]
Physica Scripta, 2018 20 pages, 10 ...
F Lingua +4 more
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Reptation Quantum Monte Carlo [PDF]
, 1999 We present an elementary and self-contained account of the analogies existing between classical diffusion and the imaginary-time evolution of quantum systems. These analogies are used to develop a new quantum simulation method which allows to calculate the ground-state expectation values of local observables without any mixed estimates nor population ...
Baroni, S., Moroni, S.
openaire +2 more sources
Quantum speedup of Monte Carlo methods [PDF]
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2015 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.
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Off-diagonal Wave Function Monte Carlo Studies of Hubbard Model I [PDF]
J. Phys. Soc. Jpn. 67, 3867 (1998), 2002 We propose a Monte Carlo method, which is a hybrid method of the quantum Monte Carlo method and variational Monte Carlo theory, to study the Hubbard model. The theory is based on the off-diagonal and the Gutzwiller type correlation factors which are taken into account by a Monte Carlo algorithm.
arxiv +1 more source