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.

A robust high-resolution algorithm for quadrature-based moment methods applied to high-speed polydisperse multiphase flows

This paper presents a robust, high-resolution Eulerian algorithm for simulating high-speed polydisperse granular multiphase flows by coupling compressible gas dynamics with mass-based moment equations closed via the generalized quadrature method of moments, demonstrating its effectiveness through various complex shock-driven numerical experiments.

Jacob W. Posey, Rodney O. Fox, Ryan W. Houim2026-03-17🔬 physics

Information-Driven Phase Transition on Weighted Graphs with Spontaneous Dimensional Sensitivity

This paper introduces a weighted graph model (FIU) where information-driven topology evolution governed by spectral curvature exhibits a sharp phase transition at a critical coupling strength, revealing a stable discrete Poisson relation between curvature and information flux that spontaneously demonstrates dimensional sensitivity through distinct system-size collapse thresholds in 2D versus 3D lattices.

Valerio Dolci2026-03-17🔬 cond-mat

Manufacturable blazed metasurface gratings designed by 3D topology optimization model

This paper presents a 3D topology optimization framework for designing manufacturable blazed metasurface gratings that achieve high broadband diffraction efficiency in the visible and near-infrared spectrum by transitioning from complex freeform structures to fabrication-constrained pillar-based parameterizations compatible with e-beam lithography and reactive ion etching.

Simon Ans (Laboratoire d'Astrophysique de Marseille, Institut Fresnel), Frédéric Zamkotsian (Laboratoire d'Astrophysique de Marseille), Guillaume Demésy (Institut Fresnel)2026-03-17🔬 physics.optics

Auto-WHATMD : Automated Wasserstein-based High-dimensional feature extraction Analysis of Trajectories from Molecular Dynamics

The paper introduces auto-WHATMD, an automated algorithm that utilizes optimal transport distance and simulated annealing to efficiently identify key residues distinguishing high-dimensional molecular dynamics trajectories of protein systems, thereby enabling quantitative comparison and correlation with ligand-binding affinities without relying on arbitrary domain assumptions.

Sosuke Asano, Ikki Yasuda, Katsuhiro Endo, Yoshinori Hirano, Kenji Yasuoka2026-03-17🔬 physics

Excited Pfaffians: Generalized Neural Wave Functions Across Structure and State

This paper introduces Excited Pfaffians, a generalized neural network architecture combined with Multi-State Importance Sampling, which enables the efficient and accurate representation of multiple excited states and potential energy surfaces with nearly constant computational cost, achieving significant speedups and scalability for systems like the carbon dimer and beryllium atom.

Nicholas Gao, Till Grutschus, Frank Noé, Stephan Günnemann2026-03-17⚛️ quant-ph

A Deep-Learning-Boosted Framework for Quantum Sensing with Nitrogen-Vacancy Centers in Diamond

This paper introduces a robust, real-time machine learning framework using a one-dimensional convolutional neural network to efficiently and accurately analyze Nitrogen-Vacancy center ODMR spectra, outperforming conventional nonlinear fitting in speed and reliability—particularly at low signal-to-noise ratios—as demonstrated in intracellular temperature sensing and superconducting vortex imaging.

Changyu Yao, Haochen Shen, Zhongyuan Liu, Ruotian Gong, Md Shakil Bin Kashem, Stella Varnum, Liangyu Li, Hangyue Li, Yue Yu, Yizhou Wang, Xiaoshui Lin, Jonathan Brestoff, Chenyang Lu, Shankar Mukherji (…)2026-03-17🔬 physics.app-ph