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Upload Data to D3TaLES

Molecular DFT Logo
Molecular DFT

Data files from DFT calculations with Gaussian16. The zip file uploaded should contain a .log file.

Surfaces DFT Logo
Surfaces DFT

Data files from VASP calculations.

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Cyclic Voltammetry

Data files from cyclic voltammetry experiments. The zip file uploaded should contain a .txt file.

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Add a Molecule

Add a molecule to the database!

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NSF Cooperative Agreement Number: 2019574

Data-enabled Discovery and Design to Transform Liquid-based Energy Storage

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