170 citations · 224 across the 4 of their papers we have counts for
5 papers
VecTree-RAG: An Agentic Retrieval-Augmented Generation Framework Combining Vector and Tree Retrieval for Efficiency and Accuracy
Xinyan Zhong, Yuwei Shi, Yuqi Wei +3
Scientific question answering requires a retrieval system to solve two distinct problems: identifying which papers are relevant and locating the supporting evidence within those pa…
Empowering Polymeric Materials Discovery by Artificial Intelligence
Chenyao Ma, Linda Zhang, Yuheng Chen +29
Polymeric materials underpin modern technologies spanning energy storage, microelectronics, healthcare and sustainable manufacturing. Yet their rational design remains exceptionall…
Implicit Chain Particle Model for Polymer Grafted Nanoparticles
Zhenghao Wu, Subhadeep Pal, Sinan Keten
Matrix-free nanocomposites made from polymer grafted nanoparticles (PGN) represent a paradigm shift in materials science because they greatly improve nanoparticle dispersion and of…
Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations
Xiang Fu, Zhenghao Wu, Wujie Wang +4
Molecular dynamics (MD) simulation techniques are widely used for various natural science applications. Increasingly, machine learning (ML) force field (FF) models begin to replace…
Learning Pair Potentials using Differentiable Simulations
Wujie Wang, Zhenghao Wu, Rafael Gómez-Bombarelli
Learning pair interactions from experimental or simulation data is of great interest for molecular simulations. We propose a general stochastic method for learning pair interaction…