Jonathan Maes , Diego De Gusem , Ian Lateur , Jonathan Leliaert , Aleksandr Kurenkov , Bartel Van Waeyenberge
{"title":"Hotspice的设计、验证和应用:一个人工自旋冰的蒙特卡罗模拟器","authors":"Jonathan Maes , Diego De Gusem , Ian Lateur , Jonathan Leliaert , Aleksandr Kurenkov , Bartel Van Waeyenberge","doi":"10.1016/j.cpc.2025.109643","DOIUrl":null,"url":null,"abstract":"<div><div>We present Hotspice, a Monte Carlo simulation software designed to capture the dynamics and equilibrium states of Artificial Spin Ice (ASI) systems with both in-plane (IP) and out-of-plane (OOP) geometries. An Ising-like model is used where each nanomagnet is represented as a macrospin, with switching events driven by thermal fluctuations, magnetostatic interactions, and external fields. To improve simulation accuracy, we explore the impact of several corrections to this model, concerning for example the calculation of the dipole interaction in IP and OOP ASI, as well as the impact of allowing asymmetric rather than symmetric energy barriers between stable states. We validate these enhancements by comparing simulation results with experimental data for pinwheel and kagome ASI lattices, demonstrating how these corrections enable a more accurate simulation of the behavior of these systems. We finish with a demonstration of ‘clocking’ in pinwheel and OOP square ASI as an example of reservoir computing.</div></div><div><h3>Program summary</h3><div><em>Program title: Hotspice</em></div><div><em>CPC Library link to program files:</em> <span><span>https://doi.org/10.17632/9c3rx36jvn.1</span><svg><path></path></svg></span></div><div><em>Developer's repository link:</em> <span><span>https://github.com/bvwaeyen/Hotspice</span><svg><path></path></svg></span></div><div><em>Licensing provisions:</em> GPLv3</div><div><em>Programming language:</em> Python 3</div><div><em>Nature of problem:</em> To tailor the complex phenomena in Artificial Spin Ice for a specific purpose, simulations are key to rapidly assess whether a given combination of system parameters will yield a desirable result. Therefore, a simulator capable of simulating systems containing thousands of magnets is needed, ideally requiring a minimal amount of input parameters. This is particularly important for use cases such as reservoir computing, where system-scale dynamics are of primary interest.</div><div><em>Solution method:</em> Hotspice approximates each single-domain nanomagnet as an Ising spin, associating energies with its various states and accounting for the magnetostatic interaction between all magnets. By calculating switching rates using the Néel-Arrhenius model, or flipping magnets based on the Metropolis-Hastings algorithm, the dynamics of ASI can be calculated for large arrays and over experimentally relevant timescales.</div><div><em>Additional comments including restrictions and unusual features:</em> While Hotspice is well-suited for large-scale ASI simulations, it relies on higher-level approximations which do not account for the detailed internal magnetization dynamics within individual magnets. To improve simulation accuracy, several model variants have been implemented which differ in their calculation of the magnetostatic interactions, the use of symmetric versus asymmetric energy barriers, and their choice of update algorithm.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109643"},"PeriodicalIF":7.2000,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The design, verification, and applications of Hotspice: A Monte Carlo simulator for artificial spin ice\",\"authors\":\"Jonathan Maes , Diego De Gusem , Ian Lateur , Jonathan Leliaert , Aleksandr Kurenkov , Bartel Van Waeyenberge\",\"doi\":\"10.1016/j.cpc.2025.109643\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>We present Hotspice, a Monte Carlo simulation software designed to capture the dynamics and equilibrium states of Artificial Spin Ice (ASI) systems with both in-plane (IP) and out-of-plane (OOP) geometries. An Ising-like model is used where each nanomagnet is represented as a macrospin, with switching events driven by thermal fluctuations, magnetostatic interactions, and external fields. To improve simulation accuracy, we explore the impact of several corrections to this model, concerning for example the calculation of the dipole interaction in IP and OOP ASI, as well as the impact of allowing asymmetric rather than symmetric energy barriers between stable states. We validate these enhancements by comparing simulation results with experimental data for pinwheel and kagome ASI lattices, demonstrating how these corrections enable a more accurate simulation of the behavior of these systems. We finish with a demonstration of ‘clocking’ in pinwheel and OOP square ASI as an example of reservoir computing.</div></div><div><h3>Program summary</h3><div><em>Program title: Hotspice</em></div><div><em>CPC Library link to program files:</em> <span><span>https://doi.org/10.17632/9c3rx36jvn.1</span><svg><path></path></svg></span></div><div><em>Developer's repository link:</em> <span><span>https://github.com/bvwaeyen/Hotspice</span><svg><path></path></svg></span></div><div><em>Licensing provisions:</em> GPLv3</div><div><em>Programming language:</em> Python 3</div><div><em>Nature of problem:</em> To tailor the complex phenomena in Artificial Spin Ice for a specific purpose, simulations are key to rapidly assess whether a given combination of system parameters will yield a desirable result. Therefore, a simulator capable of simulating systems containing thousands of magnets is needed, ideally requiring a minimal amount of input parameters. This is particularly important for use cases such as reservoir computing, where system-scale dynamics are of primary interest.</div><div><em>Solution method:</em> Hotspice approximates each single-domain nanomagnet as an Ising spin, associating energies with its various states and accounting for the magnetostatic interaction between all magnets. By calculating switching rates using the Néel-Arrhenius model, or flipping magnets based on the Metropolis-Hastings algorithm, the dynamics of ASI can be calculated for large arrays and over experimentally relevant timescales.</div><div><em>Additional comments including restrictions and unusual features:</em> While Hotspice is well-suited for large-scale ASI simulations, it relies on higher-level approximations which do not account for the detailed internal magnetization dynamics within individual magnets. To improve simulation accuracy, several model variants have been implemented which differ in their calculation of the magnetostatic interactions, the use of symmetric versus asymmetric energy barriers, and their choice of update algorithm.</div></div>\",\"PeriodicalId\":285,\"journal\":{\"name\":\"Computer Physics Communications\",\"volume\":\"313 \",\"pages\":\"Article 109643\"},\"PeriodicalIF\":7.2000,\"publicationDate\":\"2025-04-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computer Physics Communications\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0010465525001456\",\"RegionNum\":2,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computer Physics Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010465525001456","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
The design, verification, and applications of Hotspice: A Monte Carlo simulator for artificial spin ice
We present Hotspice, a Monte Carlo simulation software designed to capture the dynamics and equilibrium states of Artificial Spin Ice (ASI) systems with both in-plane (IP) and out-of-plane (OOP) geometries. An Ising-like model is used where each nanomagnet is represented as a macrospin, with switching events driven by thermal fluctuations, magnetostatic interactions, and external fields. To improve simulation accuracy, we explore the impact of several corrections to this model, concerning for example the calculation of the dipole interaction in IP and OOP ASI, as well as the impact of allowing asymmetric rather than symmetric energy barriers between stable states. We validate these enhancements by comparing simulation results with experimental data for pinwheel and kagome ASI lattices, demonstrating how these corrections enable a more accurate simulation of the behavior of these systems. We finish with a demonstration of ‘clocking’ in pinwheel and OOP square ASI as an example of reservoir computing.
Program summary
Program title: Hotspice
CPC Library link to program files:https://doi.org/10.17632/9c3rx36jvn.1
Nature of problem: To tailor the complex phenomena in Artificial Spin Ice for a specific purpose, simulations are key to rapidly assess whether a given combination of system parameters will yield a desirable result. Therefore, a simulator capable of simulating systems containing thousands of magnets is needed, ideally requiring a minimal amount of input parameters. This is particularly important for use cases such as reservoir computing, where system-scale dynamics are of primary interest.
Solution method: Hotspice approximates each single-domain nanomagnet as an Ising spin, associating energies with its various states and accounting for the magnetostatic interaction between all magnets. By calculating switching rates using the Néel-Arrhenius model, or flipping magnets based on the Metropolis-Hastings algorithm, the dynamics of ASI can be calculated for large arrays and over experimentally relevant timescales.
Additional comments including restrictions and unusual features: While Hotspice is well-suited for large-scale ASI simulations, it relies on higher-level approximations which do not account for the detailed internal magnetization dynamics within individual magnets. To improve simulation accuracy, several model variants have been implemented which differ in their calculation of the magnetostatic interactions, the use of symmetric versus asymmetric energy barriers, and their choice of update algorithm.
期刊介绍:
The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper.
Computer Programs in Physics (CPiP)
These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged.
Computational Physics Papers (CP)
These are research papers in, but are not limited to, the following themes across computational physics and related disciplines.
mathematical and numerical methods and algorithms;
computational models including those associated with the design, control and analysis of experiments; and
algebraic computation.
Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.