Computational physics bridges the gap between abstract theory and real-world observation by using powerful computers to solve complex physical problems. This field allows scientists to simulate everything from the collision of subatomic particles to the swirling dynamics of galaxies, offering insights that traditional experiments alone cannot provide.

On Gist.Science, we continuously process every new preprint in this category from arXiv to make these breakthroughs accessible to everyone. Each entry is accompanied by both a clear, plain-language explanation and a detailed technical summary, ensuring that researchers and curious readers alike can grasp the significance of the latest findings without getting lost in dense equations.

Below are the latest papers in computational physics, curated to keep you at the forefront of this rapidly evolving discipline.

DFT calculations of magnetocrystalline anisotropy energy with fixed spin moment

This paper demonstrates that the fully relativistic fixed spin moment (FR-FSM) method reconciles discrepancies in magnetocrystalline anisotropy energy (MAE) calculations arising from different exchange-correlation potentials and provides a framework for estimating maximum MAE values to guide the design of new-generation permanent magnets.

Justyn Snarski-Adamski (Institute of Molecular Physics, Polish Academy of Sciences, Poznan, Poland), Joanna Marciniak (Institute of Molecular Physics, Polish Academy of Sciences, Poznan, Poland, Uppsa (…)2026-03-11🔬 cond-mat.mtrl-sci

A GEMM-based direct solver for finite-difference Poisson problems in non-uniform grids

This paper presents a robust, GEMM-based direct solver for finite-difference Poisson problems on non-uniform 3D Cartesian grids that leverages tensor formulations and matrix-matrix multiplications to achieve superior time-to-solution and parallel efficiency compared to traditional multigrid and FFT-based methods on modern heterogeneous hardware.

Pedro Costa, Duarte Palancha, Joshua Romero, Roberto Verzicco, Massimiliano Fatica2026-03-11🔬 physics

First Estimation of Model Parameters for Neutrino-Induced Nucleon Knockout Using Simulation-Based Inference

This paper demonstrates that simulation-based inference (SBI) is a viable and potentially superior alternative to traditional empirical tuning for determining neutrino interaction model parameters, as it successfully reproduces and slightly improves upon the MicroBooNE collaboration's tuned GENIE configuration while also approximating the NuWro simulation.

Karla Tame-Narvaez, Steven Gardiner, Aleksandra Ciprijanovic, Giuseppe Cerati2026-03-11⚛️ hep-ph

Efficient method for calculation of low-temperature phase boundaries

This paper introduces an efficient framework combining the Clausius-Clapeyron equation with the quasi-harmonic approximation to calculate low-temperature phase boundaries with minimal computational cost, demonstrating its accuracy and versatility by constructing the silica phase diagram using both density functional theory and machine-learned interatomic potentials.

Lucas Svensson, Babak Sadigh, Christine Wu, Paul Erhart2026-03-11🔬 cond-mat.mtrl-sci

Differentiable Microscopy Designs an All Optical Phase Retrieval Microscope

This paper introduces "differentiable microscopy" (μ\partial\mu), a data-driven, top-down design framework that automatically optimizes optical systems for phase retrieval, demonstrating superior performance over existing methods and experimentally validating its effectiveness on biological samples.

Kithmini Herath, Hasindu Kariyawasam, Ramith Hettiarachchi, Udith Haputhanthri, Dineth Jayakody, Raja N. Ahmad, Azeem Ahmad, Balpreet S. Ahluwalia, Chamira U. S. Edussooriya, Dushan N. Wadduwage2026-03-10🔬 physics.optics

Neural delay differential equations: learning non-Markovian closures for partially known dynamical systems

This paper introduces a constant-lag Neural Delay Differential Equations (NDDEs) framework, inspired by the Mori-Zwanzig formalism, to effectively learn non-Markovian dynamics from partially observed data by identifying memory effects through time delays, demonstrating superior performance over existing methods like LSTMs and ANODEs across synthetic, chaotic, and experimental datasets.

Thibault Monsel, Onofrio Semeraro, Lionel Mathelin, Guillaume Charpiat2026-03-10🤖 cs.LG

Modelling Material Injection Into Porous Structures Under Non-isothermal Conditions

This paper extends the Theory of Porous Media to model non-isothermal material injection into porous structures, specifically for percutaneous vertebroplasty, by incorporating local thermal non-equilibrium conditions and demonstrating thermodynamic consistency through numerical simulations.

Jan-Sören L. Völter (University of Stuttgart), Zubin Trivedi (University of Stuttgart), Andreas Boger (Ansbach University of Applied Sciences), Tim Ricken (University of Stuttgart), Oliver Röhrl (…)2026-03-10🔬 physics

Atomistic Framework for Glassy Polymer Viscoelasticity Across Twenty Frequency Decades

This paper presents an extended non-affine deformation theory incorporating a time-dependent memory kernel within the Generalized Langevin Equation, which successfully predicts the viscoelastic response of poly(methyl methacrylate) across twenty frequency decades and validates these findings against diverse experimental and computational methods.

Ankit Singh, Vinay Vaibhav, Caterina Czibula, Astrid Macher, Petra Christoefl, Karin Bartl, Gregor Trimmel, Timothy W. Sirk, Alessio Zaccone2026-03-10🔬 cond-mat.mtrl-sci