output
20032026
most citedRecent Advances and Applications of Deep Learning Methods in Materials Science

1.2k citations

168 papers

physics.chem-ph2026

An anharmonic liquid-entropy functional from the Mori-Zwanzig memory kernel

Ricardo Buarque, Mauro Gascon, Tod A. Pascal

We utilize the Mori-Zwanzig memory kernel to separate the density of states of a liquid into gas, cage, and harmonic-solid components. The cage entropy is computed self-consistentl…

cs.DC2026

Using the Open Science Data Federation for data distribution: Big Bear Solar Observatory use case

Sydney Montiel, Alexsandra Guadarrama, Fabio Andrijauskas

The growing demand for extensive data processing is now a standard in many scientific fields. Efficiently distributing data to processing sites and enabling seamless sharing has be…

cs.LG2026

Knowledge-guided generative surrogate modeling for high-dimensional design optimization under scarce data

Bingran Wang, Seongha Jeong, Sebastiaan P. C. van Schie +3

Surrogate models are widely used in mechanical design and manufacturing process optimization, where high-fidelity computational models may be unavailable or prohibitively expensive…

cs.SI2025

U-centrality: A Network Centrality Measure Based on Minimum Energy Control for Laplacian Dynamics

Xinran Zheng, Leonardo Massai, Massimo Franceschetti +1

Network centrality is a foundational concept for quantifying the importance of nodes within a network. Many traditional centrality measures--such as degree and betweenness centrali…

physics.flu-dyn2025

Boundary Layer Transition as Succession of Temporal and Spatial Symmetry Breaking

Cong Lin, Oliver T. Schmidt

We show that both temporal and spatial symmetry breaking in canonical K-type transition arise as organized hydrodynamic structures rather than stochastic fluctuations. Before the s…

cs.AI2025★ 4 cited

Evolution in Simulation: AI-Agent School with Dual Memory for High-Fidelity Educational Dynamics

Sheng Jin, Haoming Wang, Zhiqi Gao +3

Large language models (LLMs) based Agents are increasingly pivotal in simulating and understanding complex human systems and interactions. We propose the AI-Agent School (AAS) syst…