7 papers
Accelerating Electrochemical Impedance Spectroscopy Measurements by Reducing Reliance on Noisy Low-Frequency Data
Qiuyu Shi, Naohiro Fujinuma, Yonatan Kurniawan +4
Electrochemical impedance spectroscopy (EIS) is a powerful tool for probing kinetic and transport processes in electrochemical systems, but its practical use is often limited by th…
Comparative study of ensemble-based uncertainty quantification methods for neural network interatomic potentials
Yonatan Kurniawan, Mingjian Wen, Ellad B. Tadmor +1
Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near first-principles accuracy at substantially reduced computational cost, making them powerful t…
Inverse design of bespoke interatomic potentials via active learning by information-matching
Yonatan Kurniawan, Logan D. Williams, Amit Samanta +6
Interatomic potentials (IPs) enable large-scale atomistic simulations beyond the reach of first-principles methods, but their predictive reliability depends critically on the selec…
Building informative materials datasets beyond targeted objectives
Rafael Espinosa Castañeda, Ashley Dale, Hongchen Wang +6
Materials science data collection can be expensive, making the reuse and long-term utility of datasets critical important for future discovery campaigns. In practice, researchers p…
AutoREC: A software platform for developing reinforcement learning agents for equivalent circuit model generation from electrochemical impedance spectroscopy data
Ali Jaberi, Yonatan Kurniawan, Robert Black +5
This paper introduces AutoREC, an open-source Python package for developing reinforcement learning (RL) agents to automatically generate equivalent circuit models (ECMs) from elect…
An information-matching approach to optimal experimental design and active learning
Yonatan Kurniawan, Tracianne B. Neilsen, Benjamin L. Francis +7
The efficacy of mathematical models heavily depends on the quality of the training data, yet collecting sufficient data is often expensive and challenging. Many modeling applicatio…