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Updated: Jan 6, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
Published on: August 22, 2025
Dongqi Zhao1, Qingquan Bao2, Robert A Riggleman1
1Department of Chemical and Biomolecular Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA.
A new machine learning approach speeds up polymer self-assembly predictions using self-consistent field theory (SCFT). This method bypasses computationally intensive steps, offering significant efficiency gains for polymer science simulations.
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