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.

BEACONS: Bounded-Error, Algebraically-Composable Neural Solvers for Partial Differential Equations

This paper introduces BEACONS, a framework that constructs formally verified, algebraically composable neural solvers for partial differential equations by leveraging the method of characteristics to derive rigorous error bounds, thereby enabling reliable and bounded extrapolation beyond training data regimes where traditional methods like PINNs often fail.

Jonathan Gorard, Ammar Hakim, James Juno2026-02-17🤖 cs.LG

Auxiliary field quantum Monte Carlo at the basis set limit: application to lattice constants

This paper presents a plane-wave implementation of auxiliary-field quantum Monte Carlo within the PAW formalism in VASP that operates at the complete basis set limit with cubic scaling, achieving high-accuracy predictions of lattice constants and bulk moduli for C, BN, BP, and Si by correcting deficiencies in MP2 and RPA methods.

Moritz Humer, Martin Schlipf, Zoran Sukurma, Sajad Bazrafshan, Georg Kresse2026-02-17🔬 physics

XDiag: Exact Diagonalization for Quantum Many-Body Systems

XDiag is a high-performance, open-source software package implemented in C++ and Julia that enables efficient, scalable exact diagonalization of quantum many-body systems through advanced algorithms like sublattice coding and symmetry-adapted bases, offering researchers a flexible toolkit for studying ground states, dynamics, and thermal properties.

Alexander Wietek, Luke Staszewski, Martin Ulaga, Paul L. Ebert, Hannes Karlsson, Siddhartha Sarkar, Leyna Shackleton, Aritra Sinha, Rafael D. Soares2026-02-16🔬 cond-mat

Quantifying the Role of Higher-Lying Excited States in Organic Emitters via Multistate Ab Initio Kinetic Modeling

This paper introduces KinLuv, a comprehensive multistate *ab initio* kinetic modeling framework that explicitly incorporates higher-lying excited states and Herzberg-Teller vibronic coupling to quantitatively reproduce experimental photophysical observables and establish criteria for determining when simplified models are sufficient for designing high-performance organic emitters.

Yue He, Daniel Escudero2026-02-16🔬 physics.app-ph

Quantum-inspired space-time PDE solver and dynamic mode decomposition

This paper introduces a quantum-inspired approach using matrix product states to simultaneously encode space and time, effectively overcoming the curse of dimensionality for both solving partial differential equations and enabling efficient, long-term data-driven predictions of nonlinear systems.

Raghavendra Dheeraj Peddinti, Stefano Pisoni, Narsimha Rapaka, Yacine Addad, Mohamed K. Riahi, Egor Tiunov, Leandro Aolita2026-02-16⚛️ quant-ph

An Oscillation-Free Real Fluid Quasi-Conservative Finite Volume Method for Transcritical and Phase-Change Flows

This paper presents a new Real Fluid Quasi-Conservative (RFQC) finite volume method that eliminates spurious pressure oscillations in transcritical and phase-change flows by locally linearizing the equation of state and evolving auxiliary variables, thereby ensuring accurate and robust shock capturing with minimal energy conservation errors.

Haotong Bai, Wenjia Xie, Yixin Yang, Ping Yi, Mingbo Sun2026-02-16🔬 physics

A new model for two-layer liquid-gas stratified flows in pipes with general cross sections

This paper presents a new hyperbolic model for immiscible two-layer gas-liquid stratified flows in pipes with general cross sections, combining a hydrostatic shallow water approximation for the liquid and an ideal gas law for the compressible gas, while analyzing its mathematical properties and validating the model through numerical tests that demonstrate its robustness across various density ratios.

Sarswati Shah, Gerardo Hernández-Dueñas2026-02-16🔢 math