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20242026
most citedScattering-Based Structural Inversion of Soft Materials via Kolmogorov-Arnold Networks

9 citations · 56 across the 16 of their papers we have counts for

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5 papers · 1 filter

cs.AI2026

NeutronGym: Physics-Graded Neutron Instrument Design for LLM Agents

Lijie Ding, Changwoo Do

Designing a scientific instrument tests whether language-model agents can do physics rather than recall it, provided the grading cannot be argued with. We introduce NeutronGym, to…

cs.AI2026

ColPackAgent: Agent-Skill-Guided Hard-Particle Monte Carlo Workflows for Colloidal Packing

Lijie Ding, Changwoo Do

We introduce ColPackAgent, an agent framework that autonomously runs Monte Carlo simulations of colloidal packing through a Model Context Protocol (MCP) tool server and an agent sk…

cs.AI2025

LLMs Can Assist with Proposal Selection at Large User Facilities

Lijie Ding, Janell Thomson, Jon Taylor +1

We explore how large language models (LLMs) can enhance the proposal selection process at large user facilities, offering a scalable, consistent, and cost-effective alternative to…

cs.AI2025★ 8 cited

ToPolyAgent: AI Agents for Coarse-Grained Topological Polymer Simulations

Lijie Ding, Jan-Michael Carrillo, Changwoo Do

We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions…

cs.AI2025★ 1 cited

SasAgent: Multi-Agent AI System for Small-Angle Scattering Data Analysis

Lijie Ding, Changwoo Do

We introduce SasAgent, a multi-agent AI system powered by large language models (LLMs) that automates small-angle scattering (SAS) data analysis by leveraging tools from the SasVie…