Generalized exchange cluster algorithm to compute efficiently covariances and susceptibilities in Monte CarloWe present a Monte Carlo method to compute efficiently susceptibilites or covariances of two physical variables. The method relies on a generalization of the exchange cluster algorithm to any model…Assaraf Roland, Chevreau Hilaire·Feb 10, 2025SaveLearn
COSMICA: a novel parallel GPU code for Cosmic Rays propagation in heliosphereThe complex structure of interplanetary magnetic fields and their variability, due to solar activity, make it necessary to compute the Cosmic Ray (CR) modulation with numerical simulations. COde for…Giovanni Cavallotto, Stefano Della Torre, Giuseppe La Vacca et al.·Feb 10, 2025SaveLearn
Constitutive Kolmogorov-Arnold Networks (CKANs): Combining Accuracy and Interpretability in Data-Driven Material ModelingHybrid constitutive modeling integrates two complementary approaches for describing and predicting a material's mechanical behavior: purely data-driven black-box methods and physically constrained,…Kian P. Abdolazizi, Roland C. Aydin, Christian J. Cyron et al.·Feb 8, 2025SaveLearn
Data-driven Low-rank Approximation for Electron-hole Kernel and Acceleration of Time-dependent GW CalculationsMany-body electron-hole interactions are essential for understanding non-linear optical processes and ultrafast spectroscopy of materials. Recent first principles approaches based on nonequilibrium…Bowen Hou, Jinyuan Wu, Victor Chang Lee et al.·Feb 8, 2025SaveLearn
Human-AI collaboration for modeling heat conduction in nanostructuresIn recent years, materials informatics, which combines data science and artificial intelligence (AI), has garnered significant attention owing to its ability to accelerate material development,…Wenyang Ding, Jiang Guo, Meng An et al.·Feb 8, 2025SaveLearn
Many-Body Coarse-Grained Molecular Dynamics with the Atomic Cluster ExpansionMolecular dynamics (MD) simulations provide detailed insight into atomic-scale mechanisms but are inherently restricted to small spatio-temporal scales. Coarse-grained molecular dynamics (CGMD)…Yangshuai Wang, Gabor Csanyi, Christoph Ortner·Feb 7, 2025SaveLearn
Physics-informed neural networks for solving moving interface flow problems using the level set approachThis paper advances the use of physics-informed neural networks (PINNs) architectures to address moving interface problems via the level set method. Originally developed for other PDE-based problems,…Mathieu Mullins, Hamza Kamil, Adil Fahsi et al.·Feb 4, 2025SaveLearn
A cellular automata model for particle transport in disordered systemsWe construct a cellular automaton (CA) model that describes the movement of a particle in a disordered system. The mathematical properties of the CA model were examined by varying the configuration…Lander Besabe, Editha Jose, Alvin Karlo Tapia·Feb 4, 2025SaveLearn
Tadah! A Swiss Army Knife for Developing and Deployment of Machine Learning Interatomic PotentialsThe Tadah! code provides a versatile platform for developing and optimizing Machine Learning Interatomic Potentials (MLIPs). By integrating composite descriptors, it allows for a nuanced…M. Kirsz, A. Daramola, A. Hermann et al.·Feb 4, 2025SaveLearn
Comparison of the clock, stochastic cutoff, and Tomita Monte Carlo methods in simulating the dipolar triangular lattice at criticalityMagnetic nanostructures find application in diverse technological domains and their behavior is significantly influenced by long-range dipolar interactions. However, simulating these systems using…S. Ismailzadeh, M. D. Niry·Feb 3, 2025SaveLearn
Aging Dynamics and Velocity Field Correlations in Three-Dimensional Uniformly Heated Granular Gases: A Molecular Dynamics StudyWe conduct a molecular dynamics simulation of an inelastic gas system utilizing an event-driven algorithm combined with a thermostat mechanism. Initially, the kinetic energy of the system experiences…Rameez Farooq Shah, Shikha Kumari, Syed Rashid Ahmad·Jan 31, 2025SaveLearn
Velocity Distribution of a Uniformly Heated Hard Sphere Granular GasThis paper presents a molecular dynamics simulation of an inelastic gas, where collisions between molecules are characterized by a coefficient of restitution less than unity. The simulation employs…Rameez Farooq Shah, Shikha Kumari, Syed Rashid Ahmad·Jan 31, 2025SaveLearn
Near Real-time Full-wave Inverse Design of Electromagnetic DevicesInverse design enables automating the discovery and optimization of devices achieving performance significantly exceeding that of traditional human-engineered designs. However, existing methodologies…Jui-Hung Sun, Mohamed Elsawaf, Yifei Zheng et al.·Jan 29, 2025SaveLearn
Long-term prediction of El Ni\~no-Southern Oscillation using reservoir computing with data-driven realtime filterIn recent years, the application of machine learning approaches to time-series forecasting of climate dynamical phenomena has become increasingly active. It is known that applying a band-pass filter…Takuya Jinno, Takahito Mitsui, Kengo Nakai et al.·Jan 29, 2025SaveLearn
Copula methods for modeling pair densities in density functional theoryWe propose a new approach towards approximating the density-to-pair-density map based on copula theory from statistics. We extend the copula theory to multi-dimensional marginals, and deduce that one…Geneviève Dusson, Claudia Klüppelberg, Gero Friesecke·Jan 29, 2025SaveLearn
Multiscale simulations of three-dimensional nanotube networks: Enhanced modeling using unit cellsThis study presents a simulation approach for three-dimensional nanotube networks using cubic and tetragonal unit cells to enhance modeling efficiency. A random-walk algorithm was developed to…Fabian Gumpert, Dominik Eitel, Olaf Kottas et al.·Jan 28, 2025SaveLearn
Vortices and backflow in hydrodynamic heat transportRecent experiments have provided compelling and renewed interest in phonon hydrodynamics. At variance with ordinary diffusive heat transport, this regime is primarily governed by momentum-conserving…Enrico Di Lucente, Francesco Libbi, Nicola Marzari·Jan 27, 2025SaveLearn
GPU acceleration of hybrid functional calculations in the SPARC electronic structure codeWe present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular,…Xin Jing, Abhiraj Sharma, John E. Pask et al.·Jan 27, 2025SaveLearn
Micromagnetic Simulation and Optimization of Spin-Wave TransducersThe increasing demand for higher data volume and faster transmission in modern wireless telecommunication systems has elevated requirements for 5G high-band RF hardware. Spin-Wave technology offers a…Florian Bruckner, Kristýna Davídková, Claas Abert et al.·Jan 27, 2025SaveLearn
A non-history dependent temporal superposition algorithm for the finite line source solutionSimulations of the operation of fields of borehole heat exchangers involve a wide spectrum of time scales, and hourly simulations for decades are required for the evaluation of the heat transfer in…Alberto Lazzarotto, Marc Basquens, Massimo Cimmino·Jan 27, 2025SaveLearn
Towards nonlinear thermohydrodynamic simulations via the Onsager-Regularized Lattice Boltzmann MethodThis work presents a generalized, assumption-free, and stencil-independent theoretical analyses of the recently proposed Onsager-Regularized (OReg) lattice Boltzmann (LB) method [Jonnalagadda et al.,…Anirudh Jonnalagadda, Amit Agrawal, Atul Sharma et al.·Jan 27, 2025SaveLearn
Faults Unveiled: An In-depth MATLAB Simulation Study of Transmission Line AnomaliesThis study aims to create a MATLAB simulation model to examine three-phase symmetrical and unsymmetrical faults that frequently occur in long transmission line systems. The types of faults considered…Milind A. Patwardhan, D. P. Chopade·Jan 27, 2025SaveLearn
Simulation of Micro-Void Development within Large Scale Additively Manufactured Polymer Composite Deposition BeadsDespite the growing level of technological advancement that characterizes extrusion-deposition additive manufacturing technology, there remains a significant knowledge gap in fully understanding the…Aigbe E. Awenlimobor·Jan 25, 2025SaveLearn
A SIMPLE-Based Preconditioned Solver for the Direct-Forcing Immersed Boundary MethodWe present a robust and scalable solver for direct-forcing immersed boundary simulations, based on a preconditioned SIMPLE algorithm. The method applies block elimination to the pressure-force…Rachel Yovel, Eran Treister, Yuri Feldman·Jan 25, 2025SaveLearn
Explainable autoencoder for neutron star dense matter parameter estimationWe present a physics-informed autoencoder designed to encode the equation of state of neutron stars into an interpretable latent space. In particular the input will be encoded in the mass, radius,…Francesco Di Clemente, Matteo Scialpi, Michał Bejger·Jan 25, 2025SaveLearn