2 citations · 2 across the 3 of their papers we have counts for
5 papers
Large Language Model-Assisted Systematic Study of Anomalous Adsorption Phenomena
Fengxu Yang, Matthew L. Schneider, Weitong Chen +1
Soft porous crystals can undergo guest-induced structural transitions producing unconventional adsorption isotherms, which are valuable for gas separation and storage applications.…
Persistent Fermi Pockets and Robust Electron Pairing in Lightly Doped CuO Planes of Cuprate Superconductors
Hao Chen, Jumin Shi, Yinghao Li +23
High temperature superconductivity in cuprate superconductors is generally considered to be generated from doping the Mott insulators. The fundamental nature of the doped parent co…
MLIP-MC: A Framework for Adsorption Simulations using Machine-Learned Interatomic Potentials
Connor W. Edwards, Fengxu Yang, Konstantin Stracke +1
Grand canonical Monte Carlo (GCMC) simulations are essential for screening metal-organic frameworks (MOFs) for gas adsorption, yet their accuracy is limited by underlying interatom…
QUASAR: A Universal Autonomous System for Atomistic Simulation and a Benchmark of Its Capabilities
Fengxu Yang, Jack D. Evans
The integration of large language models (LLMs) into materials science offers a transformative opportunity to streamline computational workflows, yet current agentic systems remain…
Large language models in materials science and the need for open-source approaches
Fengxu Yang, Weitong Chen, Jack D. Evans
Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key…