1190 papers
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.
This paper presents the implementation of ab initio Hubbard parameter calculation schemes, including a novel linear-response method for energy-dependent parameters, within CP2K's k-point sampling real-time TDDFT program, highlighting the distinct theoretical advantages and dynamical applications of this approach compared to the ACBN0 scheme.
This study utilizes Discrete Element Method (DEM) simulations to demonstrate that in horizontal stirred bed reactors, increasing rotation speed enhances axial mixing and circulation while higher fill levels slow mixing and reduce axial dispersion, thereby revealing critical trade-offs for optimizing operating conditions in polyolefin production.
This paper introduces a class of perturbation-theory-informed time-stepping integrators that significantly outperform standard methods like FastPM in cosmological simulations by accurately reproducing density statistics with fewer timesteps, while also demonstrating that convergence is fundamentally limited by shell-crossing effects and that symplecticity is less critical for fast, approximate simulations.
This paper introduces a symmetrization scheme that preserves the Mermin-Wagner theorem to resolve pseudo phase transitions in the 2D Hubbard model, applying it within a GW-covariance framework to accurately calculate Green's and spin-spin correlation functions that align with DQMC benchmarks while satisfying fundamental many-body relations.
This paper introduces novel Hyperbolic Shallow Water Moment Equations derived through primitive variable regularization, which analytically overcome the hyperbolicity and accuracy limitations of existing models while preserving the correct momentum equation and enabling interpretable steady states.
This paper compares serial and Monte Carlo batch acquisition functions for Bayesian optimization on synthetic and empirical datasets, concluding that the q-upper confidence bound (qUCB) is the most robust default choice for optimizing unknown black-box functions in up to six dimensions.
This paper introduces a generalized simulated bifurcation algorithm that leverages edge-of-chaos dynamics through nonlinear control of bifurcation parameters to achieve near-perfect solution accuracy and drastically reduced computation times for large-scale combinatorial optimization problems.
This paper investigates and establishes the extension procedures, stability conditions, and accuracy metrics for applying extended phase-space symplectic integration to simulate both classical electron dynamics in turbulent magnetic fields and quantum Kohn-Sham time-dependent density-functional theory, thereby paving the way for its broad application across systems with finite and infinite degrees of freedom.
This paper introduces an adaptive hybrid algorithm that integrates the Climbing Image Nudged Elastic Band (CI-NEB) method with Minimum Mode Following (MMF) to accelerate convergence to relevant transition states, demonstrating significant reductions in computational costs for high-throughput automated chemical discovery.
This paper reveals a collective Rabi-driven mechanism in which coherent electronic Rabi oscillations within strongly coupled molecular polaritons non-monotonically activate nuclear motion, with maximum efficiency occurring when the polaritonic splitting resonates with a molecular vibrational mode.