1135 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.
The paper proposes a method to achieve near-deterministic loading of optical tweezer arrays by using repulsive barrier potentials to protect trapped particles during multiple loading cycles, significantly increasing filling efficiency for both atoms and molecules.
This paper demonstrates that non-reciprocal higher-order interactions on m-directed hypergraphs facilitate the emergence of chimera states over a broader parameter range and enable new dynamical patterns not observed in reciprocal or pairwise systems, a finding validated through numerical simulations and phase reduction theory.
This study systematically benchmarks various thermostat algorithms in molecular dynamics simulations of a binary Lennard-Jones glass-former, revealing that while Nosé-Hoover chains and Bussi thermostats offer reliable temperature control with time-step dependent energy sampling, the Grønbech-Jensen–Farago Langevin scheme provides the most consistent sampling of both temperature and potential energy despite its higher computational cost and friction-dependent diffusion effects.
This paper introduces a modal backflow neural quantum state ansatz combined with a selected-configuration scheme and vibrational self-consistent field pretraining to efficiently solve anharmonic vibrational problems, achieving spectroscopically accurate results for both artificial and ab initio Hamiltonians.
This paper reports an efficient, parallelized, spin-free implementation of the renormalized internally-contracted multireference coupled cluster with singles and doubles (RIC-MRCCSD) method within the ORCA software suite, which achieves computational costs comparable to single-reference CCSD while avoiding high-order reduced density matrices and demonstrating both scalability to large systems and accuracy comparable to various perturbation theories.
This paper introduces an n-mode quantized framework for general high-dimensional vibronic Hamiltonians that enables accurate simulation of complex photochemical dynamics, such as those in maleimide, using the density matrix renormalization group algorithm.
This paper demonstrates that the Parker-Sochacki method offers a computationally efficient and highly accurate alternative to traditional Runge-Kutta methods for simulating charged particle motion in static magnetic fields, achieving superior long-term stability and kinetic energy conservation across various field configurations.
This paper establishes a thermodynamic theory of algorithmic catalysis within the watts-per-intelligence framework, proving that task-specific speed-ups are fundamentally limited by the algorithmic mutual information between the substrate and task descriptor, with a minimum thermodynamic cost for information installation that determines the energy-efficient deployment horizon for reusable computational structures.
This paper introduces a chaos-diagnostic framework combining multireference electronic structure theory, Adiabatic Gauge Potentials, and Random Matrix Theory to demonstrate how quantum chaos suppression at transition states enhances proton-transfer tunneling in ultracold astrophysical environments, thereby offering a new metric for refining ion-molecule reaction models in planetary atmospheres.