Numerical limits in the integration of Vlasov-Poisson equation for Cold Dark MatterThe Vlasov-Poisson systems of equations (VP) describes the evolution of a distribution of collisionless particles under the effect of a collective-field potential. VP is at the basis of the study of…Luca Cappelli, Giuseppe Murante, Stefano Borgani et al.·Mar 28, 2025SaveLearn
A soft particle dynamics method based on shape degrees of freedomIn this paper, we present a 2D numerical model developed to simulate the dynamics of soft, deformable particles. To accommodate significant particle deformations, the particle surface is represented…Yohann Trivino, Vincent Richefeu, Farhang Radjai et al.·Mar 28, 2025SaveLearn
Residual-based Chebyshev filtered subspace iteration for sparse Hermitian eigenvalue problems tolerant to inexact matrix-vector productsChebyshev Filtered Subspace Iteration (ChFSI) is widely used for computing a small subset of extremal eigenpairs from large matrices, particularly when the eigenpairs must be computed repeatedly as…Nikhil Kodali, Kartick Ramakrishnan, Phani Motamarri·Mar 28, 2025SaveLearn
Machine learning based parametrization of the resolution function for the first experimental area (EAR1) of the nTOF facility at CERNThis study addresses a challenge of parametrizing a resolution function of the neutron beam from the neutron time of flight facility nTOF at CERN. A difficulty stems from a fact that a resolution…Petar Žugec, Marta Sabate Gilarte, Michael Bacak et al.·Mar 28, 2025SaveLearn
Madgraph on GPUs and vector CPUs: towards production (The 5-year journey to the first LO release CUDACPP v1.00.00)The effort to speed up the Madgraph5aMC@NLO generator by exploiting CPU vectorization and GPUs, which started at the beginning of 2020, has delivered the first production release of the code for…Andrea Valassi, Taylor Childers, Stephan Hageböck et al.·Mar 27, 2025SaveLearn
EquiNO: A Physics-Informed Neural Operator for Multiscale SimulationsMultiscale problems are ubiquitous in physics. Numerical simulations of such problems by solving partial differential equations (PDEs) at high resolution are computationally too expensive for…Hamidreza Eivazi, Jendrik-Alexander Tröger, Stefan Wittek et al.·Mar 27, 2025SaveLearn
GPU-Accelerated Charge-Equilibration for Shadow Molecular Dynamics in PythonWith recent advancements in machine learning for interatomic potentials, Python has become the go-to programming language for exploring new ideas. While machine-learning potentials are often…Mehmet Cagri Kaymak, Nicholas Lubbers, Christian F. A. Negre et al.·Mar 27, 2025SaveLearn
Fast, Modular, and Differentiable Framework for Machine Learning-Enhanced Molecular SimulationsWe present an end-to-end differentiable molecular simulation framework (DIMOS) for molecular dynamics and Monte Carlo simulations. DIMOS easily integrates machine-learning-based interatomic…Henrik Christiansen, Takashi Maruyama, Federico Errica et al.·Mar 26, 2025SaveLearn
The First Hardware Demonstration of a Universal Programmable RRAM-based Probabilistic Computer for Molecular DockingMolecular docking is a critical computational strategy in drug design and discovery, but the complex diversity of biomolecular structures and flexible binding conformations create an enormous search…Yihan He, Ming-Chun Hong, Qiming Ding et al.·Mar 26, 2025SaveLearn
Probabilistic combination of loads in topology optimization designs via cumulative damage criteriaTopology optimization (TO) is a well-established methodology for structural design under user-defined constraints, e.g. minimum volume and maximum stiffness. However, such methods have traditionally…Luis Irastorza-Valera, Luis Saucedo-Mora·Mar 25, 2025SaveLearn
New analytic formulae for memory and prediction functions in reservoir computers with time delaysTime delays increase the effective dimensionality of reservoirs, thus suggesting that time delays in reservoirs can enhance their performance, particularly their memory and prediction abilities. We…Peyton Mullarkey, Sarah Marzen·Mar 25, 2025SaveLearn
Notes on Quantum Computing for Thermal ScienceThis document explores the potential of quantum computing in Thermal Science. Conceived as a living document, it will be continuously updated with experimental findings and insights for the research…Pietro Asinari, Nada Alghamdi, Paolo De Angelis et al.·Mar 24, 2025SaveLearn
Differentiable Simulator for Electrically Reconfigurable Electromagnetic StructuresThis paper introduces a novel CUDA-enabled PyTorch-based framework designed for the gradient-based optimization of such reconfigurable electromagnetic structures with electrically tunable parameters.…Johannes Müller, Dennis Philipp, Matthias Günther·Mar 24, 2025SaveLearn
Scalable physics-informed deep generative model for solving forward and inverse stochastic differential equationsPhysics-informed deep learning approaches have been developed to solve forward and inverse stochastic differential equation (SDE) problems with high-dimensional stochastic space. However, the…Shaoqian Zhou, Wen You, Ling Guo et al.·Mar 23, 2025SaveLearn
Accelerating detector simulations with Celeritas: profiling and performance optimizationsCeleritas is a GPU-optimized MC particle transport code designed to meet the growing computational demands of next-generation HEP experiments. It provides efficient simulation of EM physics processes…Amanda L. Lund, Julien Esseiva, Seth R. Johnson et al.·Mar 22, 2025SaveLearn
Numerical Investigation of Preferential Flow Paths in Enzymatically Induced Calcite Precipitation supported by Bayesian Model AnalysisThe usability of enzymatically induced calcium carbonate precipitation (EICP) as a method for altering porous-media properties, soil stabilization, or biocementation depends on our ability to predict…Rebecca Kohlhaas, Johannes Hommel, Felix Weinhardt et al.·Mar 21, 2025SaveLearn
Magnetic skyrmions embedded in a vortexMagnetic vortices and skyrmions represent two fundamental classes of topological spin textures in ferromagnetic systems, distinguished by their unique stabilization mechanisms and degrees of freedom.…Haobing Zhang, Xintao Fan, Weiwei Wang·Mar 20, 2025SaveLearn
Scattering graph method for 3D radiative transferA novel method for monochromatic scalar 3D radiative transfer, designed primarily for modeling remote sensing imaging, is presented. For simulating an observation of an imaging satellite instrument,…Antti Mikkonen, Anssi Koskinen, Johanna Tamminen et al.·Mar 20, 2025SaveLearn
Orbital-Free Density Functional Theory for Periodic Solids: Construction of the Pauli PotentialThe practical success of density functional theory (DFT) is largely credited to the Kohn-Sham approach, which enables the exact calculation of the non-interacting electron kinetic energy via an…Sangita Majumdar, Zekun Shi, Giovanni Vignale·Mar 20, 2025SaveLearn
Analytical and Neural Network Approaches for Solving Two-Dimensional Nonlinear Transient Heat ConductionAccurately predicting nonlinear transient thermal fields in two-dimensional domains is a significant challenge in various engineering fields, where conventional analytical and numerical methods…Ze Tao, Fujun Liu, Jinhua Li et al.·Mar 19, 2025SaveLearn
Learning Distributions of Complex Fluid Simulations with Diffusion Graph NetworksPhysical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full…Mario Lino, Tobias Pfaff, Nils Thuerey·Mar 19, 2025SaveLearn
A Set of Tutorials for the LAMMPS Simulation PackageThe availability of open-source molecular simulation software packages allows scientists and engineers to focus on running and analyzing simulations without having to write, parallelize, and validate…Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger et al.·Mar 18, 2025SaveLearn
Carbon removal capacity estimation of taiga reforestation and afforestation at the western boreal edge using spatially explicit carbon budget modelingCanada's northern boreal forest edge offers considerable potential for climate change mitigation through large-scale tree planting. Afforestation in these sparsely forested regions could assist the…Kevin Bradley Dsouza, Enoch Ofosu, Richard Boudreault et al.·Mar 16, 2025SaveLearn
Probabilistic Forecasting for Dynamical Systems with Missing or Imperfect DataThe modeling of dynamical systems is essential in many fields, but applying machine learning techniques is often challenging due to incomplete or noisy data. This study introduces a variant of…Siddharth Rout, Eldad Haber, Stéphane Gaudreault·Mar 15, 2025SaveLearn
Benchmarking semi-empirical quantum chemical methods on liquid waterStimulated by the renewed interest and recent developments in semi-empirical quantum chemical (SQC) methods for noncovalent interactions, we examine the properties of liquid water at ambient…Xin Wu, Hossam Elgabarty, Vahideh Alizadeh et al.·Mar 14, 2025SaveLearn