127 citations · 127 across the 2 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2026
Drude, Where's My Charge? End-to-End Learning of Polarizable Drude Force Fields for Polymer Electrolytes
Artur Lyssenko, KyuJung Jun, Rafael Gomez-Bombarelli
Molecular dynamics simulations of solid polymer electrolytes require force fields that are fast enough to converge ion transport over hundreds of nanoseconds, yet accurately descri…
physics.chem-ph2026
Harnessing AtomisticSkills for Agentic Atomistic Research
Bowen Deng, Bohan Li, Matthew Cox +20
Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabi…
cond-mat.mes-hall2021★ 127 cited
Tunable electrochemistry with moiré flat bands and topological defects at twisted bilayer graphene
Yun Yu, Kaidi Zhang, Holden Parks +9
Tailoring electron transfer dynamics across solid-liquid interfaces is fundamental to the interconversion of electrical and chemical energy. Stacking atomically thin layers with a…