Hierarchical Finite-Element Analysis of Multiscale Electromagnetic Problems via Sparse Operator-Adapted Wavelet DecompositionIn this paper, we present a finite element method (FEM) framework enhanced by an operator-adapted wavelet decomposition algorithm designed for the efficient analysis of multiscale electromagnetic…F. Şık, F. L. Teixeira, B. Shanker·Jul 23, 2025SaveLearn
Machine Learning Workflow for Analysis of High-Dimensional Order Parameter Space: A Case Study of Polymer Crystallization from Molecular Dynamics SimulationsCurrently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (OP) to define…Elyar Tourani, Brian J. Edwards, Bamin Khomami·Jul 23, 2025SaveLearn
From Atoms to Dynamics: Learning the Committor Without Collective VariablesThis Brief Communication introduces a graph-neural-network architecture built on geometric vector perceptrons to predict the committor function directly from atomic coordinates, bypassing the need…Sergio Contreras Arredondo, Chenyu Tang, Radu A. Talmazan et al.·Jul 23, 2025SaveLearn
Coupling all-electron full-potential density functional theory with grid-based continuum embeddingsRecent advances in continuum embedding models have enabled the incorporation of solvent and electrolyte effects into density functional theory (DFT) simulations of material surfaces, significantly…Jakob Filser, Edan Bainglass, Karsten Reuter et al.·Jul 23, 2025SaveLearn
Hybrid Boundary Physics-Informed Neural Networks for Solving Navier-Stokes Equations with Complex BoundaryPhysics-informed neural networks (PINN) have achieved notable success in solving partial differential equations (PDE), yet solving the Navier-Stokes equations (NSE) with complex boundary conditions…Chuyu Zhou, ianyu Li, Chenxi Lan et al.·Jul 23, 2025SaveLearn
Iterative Born Solver for the Acoustic Helmholtz Equation with Heterogeneous Sound Speed and DensityEfficient numerical solution of the acoustic Helmholtz equation in heterogeneous media remains challenging, particularly for large-scale problems with spatially-varying density - a limitation that…Antonio Stanziola, Simon R. Arridge, Bradley E. Treeby et al.·Jul 21, 2025SaveLearn
Radiological and Biological Dictionary of Radiomics Features: Addressing Understandable AI Issues in Personalized Breast Cancer; Dictionary Version BM1.0Radiomics-based AI models show promise for breast cancer diagnosis but often lack interpretability, limiting clinical adoption. This study addresses the gap between radiomic features (RF) and the…Arman Gorji, Nima Sanati, Amir Hossein Pouria et al.·Jul 21, 2025SaveLearn
Towards Quantum Accelerated Large-scale Topology OptimizationWe present a new method that efficiently solves TO problems and provides a practical pathway to leverage quantum computing to exploit potential quantum advantages. This work targets on large-scale,…Zisheng Ye, Wenxiao Pan·Jul 19, 2025SaveLearn
MENO: Hybrid Matrix Exponential-based Neural Operator for Stiff ODEs. Application to Thermochemical KineticsWe introduce MENO (''Matrix Exponential-based Neural Operator''), a hybrid surrogate modeling framework for efficiently solving stiff systems of ordinary differential equations (ODEs) that exhibit a…Ivan Zanardi, Simone Venturi, Marco Panesi·Jul 18, 2025SaveLearn
FFTArray: A Python Library for the Implementation of Discretized Multi-Dimensional Fourier TransformsPartial differential equations describing the dynamics of physical systems rarely have closed-form solutions. Fourier spectral methods, which use Fast Fourier Transforms (FFTs) to approximate…Stefan J. Seckmeyer, Christian Struckmann, Gabriel Müller et al.·Jul 17, 2025SaveLearn
A variationally consistent and asymptotically convergent phase-field model for solute precipitation and dissolutionWe propose a novel phase-field model for solute precipitation and dissolution in liquid solutions. Unlike in previous studies with similar scope, in our model the two non-linear coupled governing…Andrea Lamperti, Laura De Lorenzis·Jul 17, 2025SaveLearn
Equalized Hyperspin MachineThe reliable simulation of spin models is of critical importance to tackle complex optimization problems that are intractable on conventional computing machines. The recently introduced hyperspin…Marcello Calvanese Strinati, Claudio Conti·Jul 17, 2025SaveLearn
TinyDEM: Minimal open granular DEM code with sliding, rolling and twisting frictionThis article introduces TinyDEM, a lightweight implementation of a full-fledged discrete element method (DEM) solver in 3D. Newton's damped equations of motion are solved explicitly for translations…Roman Vetter·Jul 16, 2025SaveLearn
Shape optimization of metastable statesThe definition of metastable states is an ubiquitous task in the design and analysis of molecular simulations, and is a crucial input in a variety of acceleration methods for the sampling of long…Noé Blassel, Tony Lelièvre, Gabriel Stoltz·Jul 16, 2025SaveLearn
High-Precision Modal Analysis of Multimode Waveguides from Amplitudes via Large-Step Nonconvex OptimizationOptimizing multimodal waveguide performance depends on modal analysis; however, existing methods focus predominantly on modal power distribution (MPD) and, limited by experimental hardware and…Jingtong Li, Dongting Huang, Minhui Xiong et al.·Jul 16, 2025SaveLearn
Fragment size density estimator for shrinkage-induced fracture based on a physics-informed neural networkThis paper presents a neural network (NN)-based solver for an integro-differential equation that models shrinkage-induced fragmentation. The proposed method directly maps input parameters to the…Shin-ichi Ito·Jul 15, 2025SaveLearn
TMMax: High-performance modeling of multilayer thin-film structures using transfer matrix method with JAXOptical multilayer thin-films are fundamental components that enable the precise control of reflectance, transmittance, and phase shift in the design of photonic systems. Rapid and accessible…Bahrem Serhat Danis, Esra Zayim·Jul 15, 2025SaveLearn
Omnisoot: an object-oriented process design package for gas-phase synthesis of carbonaceous nanoparticlesA computational tool, Omnisoot, was developed utilizing the chemical kinetics capabilities of Cantera to model the formation of carbonaceous nanoparticles, such as soot and Carbon Black (CB), from…Mohammad Adib, Sina Kazemi, M. Reza Kholghy·Jul 15, 2025SaveLearn
Latent Space Dynamics Identification for Interface Tracking with Application to Shock-Induced Pore CollapseCapturing sharp, evolving interfaces remains a central challenge in reduced-order modeling, especially when data is limited and the system exhibits localized nonlinearities or discontinuities. We…Seung Whan Chung, Christopher Miller, Youngsoo Choi et al.·Jul 14, 2025SaveLearn
An efficient solution algorithm for force-driven continuum and rarefied flowsGaseous flows under an external force are intrinsically defined by their multi-scale nature due to the large variation of densities along the forcing direction. Devising a numerical method capable of…Shuangqing Liu, Zuoxu Li, Yonghao Zhang et al.·Jul 14, 2025SaveLearn
Designing quantum chemistry algorithms with just-in-time compilationWe introduce just-in-time (JIT) compilation to the integral kernels for Gaussian-type orbitals (GTOs) to enhance the efficiency of electron repulsion integral computations. For Coulomb and exchange…Xiaojie Wu, Qiming Sun, Yuanheng Wang·Jul 13, 2025SaveLearn
Multi-Head Neural Operator for Modelling Interfacial DynamicsInterfacial dynamics underlie a wide range of phenomena, including phase transitions, microstructure coarsening, pattern formation, and thin-film growth, and are typically described by stiff,…Mohammad Sadegh Eshaghi, Navid Valizadeh, Cosmin Anitescu et al.·Jul 9, 2025SaveLearn
From large-eddy simulations to deep learning: A U-net model for fast urban canopy flow predictionsAccurate prediction of wind flow fields in urban canopies is crucial for ensuring pedestrian comfort, safety, and sustainable urban design. Traditional methods using wind tunnels and Computational…Themistoklis Vargiemezis, Catherine Gorlé·Jul 9, 2025SaveLearn
Drag modelling for flows through assemblies of spherical particles with machine learning: A comparison of approachesDrag forces on particles in random assemblies can be accurately estimated through particle-resolved direct numerical simulations (PR-DNS). Despite its limited applicability to relatively small…Julia Reuter, Hani Elmestikawy, Sanaz Mostaghim et al.·Jul 8, 2025SaveLearn
A family of conservative axisymmetric contact SPH schemes for impact engineering applicationsA family of conservative schemes for the axisymmetric contact smoothed particle hydrodynamics (CSPH) method, which ensure the accuracy and stability in modeling of complex multi-material flows of…G. D. Rublev·Jul 8, 2025SaveLearn