2 papers
physics.comp-ph2026
Data-Driven Spectral Prediction for Accelerating Large-Scale Electronic Structure Calculations
Abhiram Badrinarayanan, Davor Davidovic, Edoardo Di Napoli +4
Simulating large molecular systems comprising thousands of atoms requires highly scalable methodologies. While modern Density Functional Theory (DFT) codes exhibit linear scaling,…
cs.AI2026
AutoSci: A Memory-Centric Agentic System for the Full Scientific Research Lifecycle
Weitong Qian, Beicheng Xu, Zhongao Xie +16
Scientific research has traditionally been human-intensive, requiring researchers to coordinate literature, ideas, experiments, manuscripts, and review responses across long projec…