Name: ESRA-MLP-0008: MLIP of Cell 2025_JuranNoh_YangangLiang_ACS.Appl.Energy.Mater._5c02546
Creator: Juran Noh
Published: 2026-08-14
License: https://spdx.org/licenses/CC-BY-4.0

Researcher

Juran Noh

ORCID

0000-0001-6712-3695

PI

Yangang Liang

Project

Automation-Accelerated Electrolyte Design Mitigates Solubility Competition between Redox-Active Molecules and Supporting Salts

Cell / Sample ID

2025_JuranNoh_YangangLiang_ACS.Appl.Energy.Mater._5c02546 ← click to see all uploads from this cell

Publication DOI

10.1021/acsaem.5c02546 ↗

Upload Date (CDT)

2026-08-14 18:21:44

Upload ID

a4b5f2b2-ecb3-4c88-ba1f-d458d141e477

How to Cite

1 — Cite the dataset paper

↗ View paper

2 — Cite the ESRA platform

Galib, M. et al. (2026). ESRA: Energy Storage Research Assistant. Argonne National Laboratory. https://github.com/MusannaGalib/esra-platform

CC BY 4.0 · Data shared under Creative Commons Attribution 4.0

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MLIP fields

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Model Name *

Model Type *

Target Properties *

Dft Training Level

Training Dataset Name

Training Dataset Size

Mae Energy Mev Per Atom

Mae Forces Mev Per A

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Notes

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Location on Eagle / Perlmutter

Destination Path

/global/cfs/cdirs/m4845/gsharing/yangang-liang/automation-accelerated-electrolyte-desig/2025-jurannoh-yangangliang-acsapplenergy/2025_JuranNoh_YangangLiang_ACS.Appl.Energy.Mater._5c02546/mlip/ESRA-MLP-0008/

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Linked Uploads

Type	Group	Date	Project	Link
NMR	Yangang Liang	2026-08-14 18:21	Automation-Accelerated Electrolyte Design Mitigates Solubility Competition between Redox-Active Molecules and Supporting Salts	same cell
EIS	Yangang Liang	2026-08-14 18:21	Automation-Accelerated Electrolyte Design Mitigates Solubility Competition between Redox-Active Molecules and Supporting Salts	same cell
DFT	Yangang Liang	2026-08-14 18:21	Automation-Accelerated Electrolyte Design Mitigates Solubility Competition between Redox-Active Molecules and Supporting Salts	same cell

Experiment Metadata

Model Type	N/A — trained on experimental qNMR solubility data (not DFT)
Visibility	public
Publication Doi	10.1021/acsaem.5c02546
Institution Code	ESRA
Target Properties	o-solubility of BTZ and LiTFSI in binary organic solvents (M); predicts minimum solubility of the two-solute system

MLIP fields

Location on Eagle / Perlmutter

Linked Uploads

Experiment Metadata

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