Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2207.11252

Path integral molecular dynamics for anyons, bosons and fermions

Yunuo, Xiong, Hongwei Xiong

Published Jul 22, 2022• 0 citations
arXivHTMLPDF

Abstract

In this article we develop a general method to numerically calculate physical properties for a system of anyons with path integral molecular dynamics. We provide a unified method to calculate the thermodynamics of identical bosons, fermions and anyons. Our method is tested and applied to systems of anyons, bosons and fermions in a two-dimensional harmonic trap. We also consider a method to calculate the energy for fermions as an application of the path integral molecular dynamics to simulate the anyon model.

DOI
10.48550/arxiv.2207.11252

Related papers

Path-integral molecular dynamics for anyons, bosons, and fermions

Yunuo Xiong, Hongwei Xiong

In this article we develop a general method to numerically calculate physical properties for a system of anyons with path integral molecular dynamics. We provide a unified method to calculate the thermodynamics of identical bosons, fermions, and anyons. Our method is tested and applied to systems of anyons, bosons, and fermions in a two-dimensional harmonic trap. We also consider a method to calculate the energy for fermions as an application of the path integral molecular dynamics to simulate the anyon model.

Physical review. E•Aug 9, 2022•9 citations

Path integral molecular dynamics for thermodynamics and Green’s function of ultracold spinor bosons

Y. C. Yu, Shujuan Liu, Hongwei Xiong +1 more

Most recently, the path integral molecular dynamics has been successfully used to consider the thermodynamics of single-component identical bosons and fermions. In this work, the path integral molecular dynamics is developed to simulate thermodynamics, Green's function, and momentum distribution of two-component bosons in three dimensions. As an example of our general method, we consider the thermodynamics of up to 16 bosons in a three-dimensional harmonic trap. For noninteracting spinor bosons, our simulation shows a bump in the heat capacity. As the repulsive interaction strength increases, however, we find the gradual disappearance of the bump in the heat capacity. We believe that this simulation result can be tested by ultracold spinor bosons with optical lattices and magnetic-field Feshbach resonance to tune the inter-particle interaction. We also calculate Green's function and momentum distribution of spinor bosons. Our work facilitates the exact numerical simulation of spinor bosons, whose property is one of the major problems in ultracold Bose gases.

arXiv:2207.07653•The Journal of Chemical Physics•Jul 14, 2022•8 citations

On the thermodynamic properties of fictitious identical particles and the application to fermion sign problem

Yunuo Xiong, Hongwei Xiong

By generalizing the recently developed path integral molecular dynamics for identical bosons and fermions, we consider the finite-temperature thermodynamic properties of fictitious identical particles with a real parameter ξ interpolating continuously between bosons (ξ = 1) and fermions (ξ = -1). Through general analysis and numerical experiments, we find that the average energy may have good analytical properties as a function of this real parameter ξ, which provides the chance to calculate the thermodynamical properties of identical fermions by extrapolation with a simple polynomial function after accurately calculating the thermodynamic properties of the fictitious particles for ξ ≥ 0. Using several examples, it is shown that our method can efficiently give accurate energy values for finite-temperature fermionic systems. Our work provides a chance to circumvent the fermion sign problem for some quantum systems.

arXiv:2206.08341•The Journal of Chemical Physics•Aug 8, 2022•43 citations

Path integral molecular dynamics for fermions: Alleviating the sign problem with the Bogoliubov inequality

Barak Hirshberg, Michele Invernizzi, Michele Parrinello

We present a method for performing path integral molecular dynamics (PIMD) simulations for fermions and address its sign problem. PIMD simulations are widely used for studying many-body quantum systems at thermal equilibrium. However, they assume that the particles are distinguishable and neglect bosonic and fermionic exchange effects. Interacting fermions play a key role in many chemical and physical systems, such as electrons in quantum dots and ultracold trapped atoms. A direct sampling of the fermionic partition function is impossible using PIMD since its integrand is not positive definite. We show that PIMD simulations for fermions are feasible by employing our recently developed method for bosonic PIMD and reweighting the results to obtain fermionic expectation values. The approach is tested against path integral Monte Carlo (PIMC) simulations for up to seven electrons in a two-dimensional quantum dot for a range of interaction strengths. However, like PIMC, the method suffers from the sign problem at low temperatures. We propose a simple approach for alleviating it by simulating an auxiliary system with a larger average sign and obtaining an upper bound to the energy of the original system using the Bogoliubov inequality. This allows fermions to be studied at temperatures lower than would otherwise have been feasible using PIMD, as demonstrated in the case of a three-electron quantum dot. Our results extend the boundaries of PIMD simulations of fermions and will hopefully stimulate the development of new approaches for tackling the sign problem.

arXiv:2003.10317•The Journal of Chemical Physics•May 5, 2020•54 citations

Path integral molecular dynamics for bosons

Barak Hirshberg, Valerio Rizzi, Michele Parrinello

Trapped bosons exhibit fundamental physical phenomena and are at the core of emerging quantum technologies. We present a method for simulating bosons using path integral molecular dynamics. The main difficulty in performing such simulations is enumerating all ring-polymer configurations, which arise due to permutations of identical particles. We show that the potential and forces at each time step can be evaluated by using a recurrence relation which avoids enumerating all permutations, while providing the correct thermal expectation values. The resulting algorithm scales cubically with system size. The method is tested and applied to bosons in a 2-dimensional (2D) trap and agrees with analytical results and numerical diagonalization of the many-body Hamiltonian. An analysis of the role of exchange effects at different temperatures, through the relative probability of different ring-polymer configurations, is also presented.

arXiv:1905.09053•Proceedings of the National Academy of Sciences•Oct 7, 2019•86 citations

Path integral molecular dynamics simulations for Green’s function in a system of identical bosons

Yunuo Xiong, Hongwei Xiong

Path integral molecular dynamics (PIMD) has been successfully applied to perform simulations of large bosonic systems in a recent study [Hirshberg et al., Proc. Natl. Acad. Sci. U. S. A. 116, 21445 (2019)]. In this work, we extend PIMD techniques to study Green's function for bosonic systems. We demonstrate that the development of the original PIMD method enables us to calculate Green's function and extract momentum distribution from our simulations. We also apply our method to systems of identical interacting bosons to study Berezinskii-Kosterlitz-Thouless transition around its critical temperature.

arXiv:2203.09919•The Journal of Chemical Physics•Apr 5, 2022•12 citations
In this article we develop a general method to numerically calculate physical properties for a system of anyons with path integral molecular dynamics. We provide a unified method to calculate the thermodynamics of identical bosons, fermions and anyons. Our method is tested and applied to systems of anyons, bosons and fermions in a two-dimensional harmonic trap. We also consider a method to calculate the energy for fermions as an application of the path integral molecular dynamics to simulate the anyon model.
In this article we develop a general method to numerically calculate physical properties for a system of anyons with path integral molecular dynamics. We provide a unified method to calculate the thermodynamics of identical bosons, fermions, and anyons. Our method is tested and applied to systems of anyons, bosons, and fermions in a two-dimensional harmonic trap. We also consider a method to calculate the energy for fermions as an application of the path integral molecular dynamics to simulate the anyon model.
Most recently, the path integral molecular dynamics has been successfully used to consider the thermodynamics of single-component identical bosons and fermions. In this work, the path integral molecular dynamics is developed to simulate thermodynamics, Green's function, and momentum distribution of two-component bosons in three dimensions. As an example of our general method, we consider the thermodynamics of up to 16 bosons in a three-dimensional harmonic trap. For noninteracting spinor bosons, our simulation shows a bump in the heat capacity. As the repulsive interaction strength increases, however, we find the gradual disappearance of the bump in the heat capacity. We believe that this simulation result can be tested by ultracold spinor bosons with optical lattices and magnetic-field Feshbach resonance to tune the inter-particle interaction. We also calculate Green's function and momentum distribution of spinor bosons. Our work facilitates the exact numerical simulation of spinor bosons, whose property is one of the major problems in ultracold Bose gases.
By generalizing the recently developed path integral molecular dynamics for identical bosons and fermions, we consider the finite-temperature thermodynamic properties of fictitious identical particles with a real parameter ξ interpolating continuously between bosons (ξ = 1) and fermions (ξ = -1). Through general analysis and numerical experiments, we find that the average energy may have good analytical properties as a function of this real parameter ξ, which provides the chance to calculate the thermodynamical properties of identical fermions by extrapolation with a simple polynomial function after accurately calculating the thermodynamic properties of the fictitious particles for ξ ≥ 0. Using several examples, it is shown that our method can efficiently give accurate energy values for finite-temperature fermionic systems. Our work provides a chance to circumvent the fermion sign problem for some quantum systems.
We present a method for performing path integral molecular dynamics (PIMD) simulations for fermions and address its sign problem. PIMD simulations are widely used for studying many-body quantum systems at thermal equilibrium. However, they assume that the particles are distinguishable and neglect bosonic and fermionic exchange effects. Interacting fermions play a key role in many chemical and physical systems, such as electrons in quantum dots and ultracold trapped atoms. A direct sampling of the fermionic partition function is impossible using PIMD since its integrand is not positive definite. We show that PIMD simulations for fermions are feasible by employing our recently developed method for bosonic PIMD and reweighting the results to obtain fermionic expectation values. The approach is tested against path integral Monte Carlo (PIMC) simulations for up to seven electrons in a two-dimensional quantum dot for a range of interaction strengths. However, like PIMC, the method suffers from the sign problem at low temperatures. We propose a simple approach for alleviating it by simulating an auxiliary system with a larger average sign and obtaining an upper bound to the energy of the original system using the Bogoliubov inequality. This allows fermions to be studied at temperatures lower than would otherwise have been feasible using PIMD, as demonstrated in the case of a three-electron quantum dot. Our results extend the boundaries of PIMD simulations of fermions and will hopefully stimulate the development of new approaches for tackling the sign problem.
Trapped bosons exhibit fundamental physical phenomena and are at the core of emerging quantum technologies. We present a method for simulating bosons using path integral molecular dynamics. The main difficulty in performing such simulations is enumerating all ring-polymer configurations, which arise due to permutations of identical particles. We show that the potential and forces at each time step can be evaluated by using a recurrence relation which avoids enumerating all permutations, while providing the correct thermal expectation values. The resulting algorithm scales cubically with system size. The method is tested and applied to bosons in a 2-dimensional (2D) trap and agrees with analytical results and numerical diagonalization of the many-body Hamiltonian. An analysis of the role of exchange effects at different temperatures, through the relative probability of different ring-polymer configurations, is also presented.
Path integral molecular dynamics (PIMD) has been successfully applied to perform simulations of large bosonic systems in a recent study [Hirshberg et al., Proc. Natl. Acad. Sci. U. S. A. 116, 21445 (2019)]. In this work, we extend PIMD techniques to study Green's function for bosonic systems. We demonstrate that the development of the original PIMD method enables us to calculate Green's function and extract momentum distribution from our simulations. We also apply our method to systems of identical interacting bosons to study Berezinskii-Kosterlitz-Thouless transition around its critical temperature.