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.

BattMo -- Battery Modelling Toolbox

This paper introduces BattMo, a flexible MATLAB-based finite volume toolbox for simulating diverse electrochemical battery cells that supports 3D geometries, coupled thermal and degradation models, and FAIR-compliant parameterization while enabling efficient gradient-based optimization through automatic differentiation.

Xavier Raynaud, Halvor Møll Nilsen, August Johansson, Eibar Flores, Lorena Hendrix, Francesca Watson, Sridevi Krishnamurthi, Olav Møyner, Simon Clark2026-06-12🔬 physics

The three dimensional Neumann Green's function for general surfaces: singular asymptotics and boundary integral methods

This paper presents an asymptotic analysis and a high-order boundary integral method using Duffy patches to accurately compute the three-dimensional Neumann Green's function for general curved surfaces by decomposing the solution into singular and regular parts, thereby enabling the resolution of open problems in narrow capture theory.

Alan E. Lindsay, Andrew J. Bernoff, Tristan Goodwill, Jeremy G. Hoskins2026-06-12🔬 physics.app-ph

Electron Ptychography Reveals Correlated Lattice Vibrations at Atomic Resolution

This paper introduces CAVIAR, an electron ptychography framework that achieves sub-Angstrom resolution to reveal spatial correlations in atomic vibrations and accurately determine phonon frequencies from nanoscale volumes, offering a unique tool for studying atom dynamics and developing phonon-based technologies.

Anton Gladyshev, Benedikt Haas, Thomas C. Pekin, Tara M. Boland, Marcel Schloz, Peter Rez, Christoph T. Koch2026-06-11🔬 physics.atom-ph

Disentangling the Discrepancy Between Theoretical and Experimental Curie Temperatures in Ferroelectric PbTiO3_3

This study identifies that the underestimation of the Curie temperature in ferroelectric PbTiO3_3 primarily arises from limitations in exchange-correlation functionals rather than machine learning force field inaccuracies, revealing that apparent improvements from short-range models are fortuitous error cancellations while accurate predictions require explicit long-range interactions and improved functionals.

Denan Li, Christian S. Ahart, Shi Liu2026-06-11🔬 cond-mat.mtrl-sci

Introducing an Extensible Open-Source Toolkit Suite for Studying Second Harmonic Generation: A Case Study of Depleted Pulsed Gaussian Wave SHG

This paper introduces an extensible, open-source SHG Computational Toolkit Suite designed to overcome the limitations of existing analytical models and inaccessible experimental data by providing a coordinated collection of well-documented numerical tools for studying complex, thermally coupled second harmonic generation scenarios.

Mostafa M. Rezaee, Mohammad Sabaeian, Alireza Motazedian, Fatemeh Sedaghat Jalil-Abadi, Mohammad Ghadri2026-06-11🔬 physics

Physically Constrained Ensemble Gaussian Process Modelling for Expensive Quantum Systems with Heteroskedastic Noise

This paper introduces a Physically Constrained Ensemble Gaussian Process (pc-EGP) framework that integrates physical consistency penalties and ensemble learning to accurately model expensive, heteroskedastic quantum simulations, demonstrating superior performance in predicting critical parameters for the Bose-Hubbard model and optimizing chemical environments for superfluidity compared to conventional methods.

Arpan Biswas, Surtirtha Paul, Joseph Agada, Matthias Thamm, Adrian Del Maestro2026-06-11🔬 physics

Least-Action-Guided Diffusion for Physical Extrapolation

This paper introduces LAPG, a least-action-principle-guided diffusion framework that enhances physical consistency in generative models during inference by combining a conditional score-based model with an action-derived variational prior, thereby enabling reliable extrapolation across time, parameters, and geometries for various physical systems without relying solely on training-time constraints.

Zhongxin Yang, Yuanwei Bin, Xiang I. A. Yang, Shiyi Chen2026-06-11🤖 cs.LG