7 papers
Towards "on-demand" van der Waals epitaxy with adaptive ensemble sampling atomistic workflows
Soumendu Bagchi, Ankita Biswas, Prasanna V. Balachandran +2
Traditional approaches to achieve targeted epitaxial growth involves exploring a vast parameter space of thermodynamical and kinetic drivers (e.g., temperature, pressure, chemical…
Are LLMs Ready for Neural-integrated Mechanistic Modeling? A Benchmark and Agentic Framework
Zihan Guan, Rituparna Datta, Mengxuan Hu +5
Large language models (LLMs) have shown promise in constructing mechanistic models from data. However, existing evaluations largely focus on simplified settings and fail to capture…
Precision QCD with the Electron-Ion Collider
C. Alexandrou, M. Arratia, E. C. Aschenauer +66
This document summarizes the discussions at the program "Precision QCD with the Electron Ion Collider", held from May to June 2025 at the Institute for Nuclear Theory (INT) at the…
Constrained Diffusion for Accelerated Structure Relaxation of Inorganic Solids with Point Defects
Jingyi Cui, Jacob K. Christopher, Ankita Biswas +2
Point defects affect material properties by altering electronic states and modifying local bonding environments. However, high-throughput first-principles simulations of point defe…
Expert-Grounded Automatic Prompt Engineering for Extracting Lattice Constants of High-Entropy Alloys from Scientific Publications using Large Language Models
Shunshun Liu, Talon R. Booth, Yangfeng Ji +2
Large language models (LLMs) have shown promise for scientific data extraction from publications, but rely on manual prompt refinement. We present an expert-grounded automatic prom…
Type-1.5 SNSPD: Interacting vortex theory of two bandgap superconducting single photon detectors
Leif Bauer, Daien He, Sathwik Bharadwaj +3
Photon detectors based on type-2 superconductors have found widespread applications from on-chip quantum computing to quantum remote sensing. Here, we develop the theory for a new…