On Energy-Dependent Neutron DiffusionWhile the energy-dependent neutron diffusion equation is widely employed in nuclear engineering, its status as an approximation to the transport equation is not yet completely understood, and several…Gabriele Burgio, Christian Reiter, Stefano Lorenzi·Dec 7, 2025SaveLearn
MaxwellLink: A unified framework for self-consistent light-matter simulationsA major challenge in light-matter simulations is bridging the disparate time and length scales of electrodynamics and molecular dynamics. Current computational approaches often rely on heuristic…Xinwei Ji, Andres Felipe Bocanegra Vargas, Gang Meng et al.·Dec 5, 2025SaveLearn
A Continuous Nonlinear Optimization Perspective on the Spin Glass ProblemWe present a continuous nonlinear optimization model for the Spin Glass Problem (SGP), building on a classical result by Rosenberg (1972), which shows that for a class of multilinear polynomial…Phil Duxbury, Carlile Lavor, Luiz Leduino de Salles-Neto·Dec 5, 2025SaveLearn
Beyond Adam: Disentangling Optimizer Effects in the Fine-Tuning of Atomistic Foundation ModelsAtomistic foundation models constitute a paradigm shift in computational materials science by providing universal machine-learned interatomic potentials with broad transferability across chemical…Xiaoqing Liu, Yangshuai Wang, Teng Zhao·Dec 5, 2025SaveLearn
Hypothesis-Based Particle Detection for Accurate Nanoparticle Counting and Digital DiagnosticsDigital assays represent a shift from traditional diagnostics and enable the precise detection of low-abundance analytes, critical for early disease diagnosis and personalized medicine, through…Neil H. Kim, Xiao-Liu Chu, Joseph B. DeGrandchamp et al.·Dec 5, 2025SaveLearn
Engineered Inclined Energy Landscapes Enabling Free Flow of Magnetic Microstructures for Artificial Neuron ApplicationsSpintronic-based brain-inspired neuromorphic computing has recently attracted significant attention due to the exceptional properties of magnetic microstructures, including nanoscale dimensions, high…Anmol Sharma, Ranjeet Kumar Brajpuriya, Vivek K. Malik et al.·Dec 4, 2025SaveLearn
LEDDS: Portable LBM-DEM simulations on GPUsAlgorithmic formulations of GPU programs provide a high-level alternative to device-specific code by expressing computations as compositions of well-defined parallel primitives (e.g., map, sort,…Raphael Maggio-Aprile, Maxime Rambosson, Christophe Coreixas et al.·Dec 4, 2025SaveLearn
PENCO: A Physics-Energy-Numerics-Consistent Operator for 3D Phase Field ModelingAccurate and efficient solutions of spatiotemporal partial differential equations (PDEs), such as phase-field models, are fundamental for understanding interfacial dynamics and microstructural…Mostafa Bamdad, Mohammad Sadegh Eshaghi, Cosmin Anitescu et al.·Dec 4, 2025SaveLearn
On the Construction of High-Order and Exact Pressure Equilibrium Schemes for Arbitrary Equations of StateTypical fully conservative discretizations of the Euler compressible single or multi-component fluid equations governed by a real-fluid equation of state exhibit spurious pressure oscillations due to…Christopher DeGrendele, Nguyen Ly, Francois Cadieux et al.·Dec 4, 2025SaveLearn
GPU-Portable Real-Space Density Functional Theory Implementation on Unified-Memory ArchitecturesWe present a GPU-portable implementation of a real-space density functional theory (DFT) code ``QUMASUN'' and benchmark it on the new Plasma Simulator featuring Intel Xeon 6980P CPUs, and AMD MI300A…Atsushi M. Ito·Dec 4, 2025SaveLearn
Bessel Functions and Analysis of Circular WaveguidesThe paper is devoted to the study of circularly coiled optical slab waveguides, which is also applicable to acoustical waveguides. We use a change of variables and the classical Frobenius method to…Jaime Mora-Paz, Leszek Demkowicz, Christina G. Taylor et al.·Dec 4, 2025SaveLearn
VNS Tokamak OpenMC-Serpent Validation for Medical Isotope StudiesThe Volumetric Neutron Source (VNS) tokamak is a proposed fusion reactor for testing and qualification of reactor components for future use in a fusion power facility, and has potential use for…Christopher Ehrich, Christian Bachmann, Pavel Pereslavtsev et al.·Dec 4, 2025SaveLearn
Persistent-variable thermal compositional simulation of multiphase flow with phase separation in porous mediaThermal compositional multiphase flow in porous media with phase transitions involves complex nonlinear interactions among flow, transport, and phase equilibrium. This paper presents a…Veljko Lipovac, Omar Duran, Eirik Keilegavlen et al.·Dec 3, 2025SaveLearn
Predicting parameters of a model cuprate superconductor using machine learningThe computational complexity of calculating phase diagrams for multi-parameter models significantly limits the ability to select parameters that correspond to experimental data. This work presents a…V. A. Ulitko, D. N. Yasinskaya, S. A. Bezzubin et al.·Dec 3, 2025SaveLearn
Refining Machine Learning Potentials through Thermodynamic Theory of Phase TransitionsFoundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular…Paul Fuchs, Julija Zavadlav·Dec 3, 2025SaveLearn
Comparing time and frequency domain numerical methods with Born-Rytov approximations for far-field electromagnetic scattering from single biological cellsThe Born-Rytov approximation estimates effective refractive index of biological cells from measurements of scattered light intensity, polarization and phase. Effective refractive index is useful for…Cael Warner·Dec 3, 2025SaveLearn
Formation of abiogenic hydrocarbons in supercritical fluids under Earth's upper mantle conditionsThe formation of hydrocarbons in Earth's interior has traditionally been considered to have biogenic origins; however, growing evidence suggests that some hydrocarbons may instead originate…Nore Stolte, Tao Li, Ding Pan·Dec 3, 2025SaveLearn
A high-order regularized delta-Chebyshev method for computing spectral densitiesWe introduce a numerical method for computing spectral densities, and apply it to the evaluation of the local density of states (LDOS) of sparse Hamiltonians derived from tight-binding models. The…Jinjing Yi, Daniel Massatt, Andrew Horning et al.·Dec 2, 2025SaveLearn
Towards a fully differentiable digital twin for solar cellsMaximizing energy yield (EY) - the total electric energy generated by a solar cell within a year at a specific location - is crucial in photovoltaics (PV), especially for emerging technologies.…Marie Louise Schubert, Houssam Metni, Jan David Fischbach et al.·Dec 2, 2025SaveLearn
A Comparison between Separately Calibrated P-α and Mesoscale Models for Weak Shock Compaction of Granular SugarThis study compares calibration strategies for predicting particle velocity in granular sugar subjected to weak shock loading, using measurements from flyer-plate impact experiments as a benchmark.…Dawa Seo, Darby J. Luscher, Nitin Daphalapurkar·Dec 1, 2025SaveLearn
Control of localized states of itinerant electrons and their magnetic interactionsControlling the magnetic properties of nanosystems by an electric field offers a number of advantages for spintronics applications. Using the noncollinear Alexander-Anderson model, we have shown that…Yaxin Sun, I. S. Lobanov, Jiahao Su et al.·Nov 30, 2025SaveLearn
Discontinuity-aware physics-informed neural network for phase-field method in three-phase flow with phase changePhysics-informed neural networks (PINNs) have been applied to simulate multiphase flows, yet they are limited in modeling phase changes and sharp interfaces due to optimization conflicts in the…Guoqiang Lei, Zhihua Wang, Lijing Zhou et al.·Nov 28, 2025SaveLearn
MDcraft -- a modern molecular dynamics simulation package with machine learning potentials supportMolecular dynamics is widely used to study various phenomena, such as diffusion, shock wave propagation, and plasma dynamics. A wide range of software packages supports the expanding scope of…I. S. Galtsov, R. V. Muratov, G. V. Vyskvarko et al.·Nov 28, 2025SaveLearn
Robust Indexing for Challenging Serial X-ray Diffraction PatternsSerial crystallography experiments routinely produce thousands of diffraction patterns from crystals in random orientations. To turn this stream of images into a usable dataset, each pattern must be…Marc M Nasser, Frédéric Poitevin, Kevin M Dalton·Nov 28, 2025SaveLearn
Efficient Pseudo-spectral Algorithms for Statistical Field TheoriesWe present stochastic variants of the exponential time differencing schemes for stiff stochastic differential equations. We derive three explicit schemes that offer better stability compared to…Martin Kjøllesdal Johnsrud, Navdeep Rana·Nov 27, 2025SaveLearn