most citedScalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing

1 citations · 1 across the 3 of their papers we have counts for

collaborators

3 papers

quant-ph2026

Autonomous Quantum Simulation through Large Language Model Agents

Weitang Li, Jiajun Ren, Lixue Cheng +1

We demonstrate that large language model (LLM) agents can autonomously perform tensor network simulations of quantum many-body systems, achieving approximately 90% success rate acr…

physics.chem-ph2026★ 1 cited

Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing

Chu Wang, Lin Huang, Xinran Wei +4

Machine learning force fields (MLFFs) have revolutionized molecular simulations by providing quantum mechanical accuracy at the speed of molecular mechanical computations. However,…

physics.chem-ph2025

SimPoly: Simulation of Polymers with Machine Learning Force Fields Derived from First Principles

Gregor N. C. Simm, Jean Hélie, Hannes Schulz +13

Polymers are a versatile class of materials with widespread industrial applications. Advanced computational tools could revolutionize their design, but their complex, multi-scale n…