scholarly journals Scaling advantage over path-integral Monte Carlo in quantum simulation of geometrically frustrated magnets

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Andrew D. King ◽  
Jack Raymond ◽  
Trevor Lanting ◽  
Sergei V. Isakov ◽  
Masoud Mohseni ◽  
...  

AbstractThe promise of quantum computing lies in harnessing programmable quantum devices for practical applications such as efficient simulation of quantum materials and condensed matter systems. One important task is the simulation of geometrically frustrated magnets in which topological phenomena can emerge from competition between quantum and thermal fluctuations. Here we report on experimental observations of equilibration in such simulations, measured on up to 1440 qubits with microsecond resolution. By initializing the system in a state with topological obstruction, we observe quantum annealing (QA) equilibration timescales in excess of one microsecond. Measurements indicate a dynamical advantage in the quantum simulation compared with spatially local update dynamics of path-integral Monte Carlo (PIMC). The advantage increases with both system size and inverse temperature, exceeding a million-fold speedup over an efficient CPU implementation. PIMC is a leading classical method for such simulations, and a scaling advantage of this type was recently shown to be impossible in certain restricted settings. This is therefore an important piece of experimental evidence that PIMC does not simulate QA dynamics even for sign-problem-free Hamiltonians, and that near-term quantum devices can be used to accelerate computational tasks of practical relevance.

2017 ◽  
Vol 19 (12) ◽  
pp. 8307-8321 ◽  
Author(s):  
Dennis Kuchenbecker ◽  
Felix Uhl ◽  
Harald Forbert ◽  
Georg Jansen ◽  
Dominik Marx

An ab initio-derived interaction potential is derived and used in path integral Monte Carlo simulations to investigate stationary-point structures of CH5+ microsolvated by up to four helium atoms.


2013 ◽  
Vol 12 (04) ◽  
pp. 1350026 ◽  
Author(s):  
MARCIN BUCHOWIECKI

The thermodynamic integration/path integral Monte Carlo (TI/PIMC) method of calculating the temperature dependence of the equilibrium constant quantum mechanically is applied to O + HCl ⇌ OH + Cl reaction. The method is based upon PIMC simulations for energies of the reactants and the products and subsequently on thermodynamic integration for the ratios of partition functions. PIMC calculations are performed with the primitive approximation (PA) and the Takahashi–Imada approximation (TIA).


1997 ◽  
Vol 55 (18) ◽  
pp. 12253-12266 ◽  
Author(s):  
T. Cui ◽  
E Cheng ◽  
B. J. Alder ◽  
K. B. Whaley

1995 ◽  
Vol 103 (13) ◽  
pp. 5720-5724 ◽  
Author(s):  
Pedro Alexandrino Fernandes ◽  
Alfredo Palace Carvalho ◽  
J. P. Prates Ramalho

1992 ◽  
Vol 03 (02) ◽  
pp. 337-346 ◽  
Author(s):  
D. MARX ◽  
P. NIELABA ◽  
K. BINDER

In Path Integral Monte Carlo simulations the systems partition function is mapped to an equivalent classical one at the expense of a temperature-dependent Hamiltonian with an additional imaginary time dimension. As a consequence the standard relation linking the heat capacity Cv to the energy fluctuations, <E2>−<E>2, which is useful in standard classical problems with temperature-independent Hamiltonian, becomes invalid. Instead, it gets replaced by the general relation [Formula: see text] for the intensive heat capacity estimator; β being the inverse temperature and the subscript P indicates the P-fold discretization in the imaginary time direction. This heatcapacity estimator has the advantage of being based directly on the energy estimatorand thus requires no extra computational effort and is suited for extensive phase diagramstudies. As an example, numerical results are presented for a two-dimensional fluid withinternal magnetic quantum degrees of freedom. We discuss in detail origin and consequences of the excess term. Due to the subtraction of two relatively large contributions ofsimilar absolute magnitude a large statistical effort would be necessary for very accurateheat capacity estimates.


Sign in / Sign up

Export Citation Format

Share Document