arXiv (All)
open access
Machine Learning Accelerated Simulation of Charge Regulation Effects
Many solvated materials, from nanoparticles to polyelectrolytes, acquire charge through the dissociation or association of surface groups, a phenomenon known as charge regulation (CR). Recent methods use hybrid charge regulation Monte Carlo (CR-MC)/molecular dynamics (MD) to evolve the system while
Conceptio Open Archive
Analyze & explore related research in Conceptio
Connect this record directly into your research workflow or AI agent. Explore citations across open repositories, query full text, and export structured proof bundles.
This document is indexed with metadata only: full text is not available in the archive for this record. Open the official source ↗
Related documents
- Machine Learning Electrostatic Interactions in Materials#922124
- Drude, Where's My Charge? End-to-End Learning of Polarizable Drude Force Fields for Polymer Electrolytes#1296806
- Computational studies of ion transport in polymer electrolytes#957936
- Data of the publication: Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion–Water Pair Potentials Based on Ab Initio Molecular Dynamics Data#207672
- Operando imaging of intercalation memory in MXenes#971938
Record · ID 1448229
Retrieved via Conceptio: every document is proof-bundled with source, license, and retrieval metadata.
Retrieved via Conceptio: every document is proof-bundled with source, license, and retrieval metadata.
Bring this data into your agent: Connect via MCP or API · 20 free credits to start · no card required
Read the Docs → · View CLI source on GitHub · Conceptio Open Knowledge Archive
Read the Docs → · View CLI source on GitHub · Conceptio Open Knowledge Archive