Training data for the nanoporous TiO2-Water Deep Potential The primary goal of this dataset is to provide high-quality training data for the development of Deep Potential (DP)...

Semiconductor Stability Phase Diagram is a data tool created by LLNL and implemented by NREL NOTE: There are a specific set of files required with a specific naming convention,...

The Advanced Multi-spectra data view parses many columns from the same csv and parses many csv resources. To set up the view, add Multi-spectra Data Tool metadata to each...

Calculated formation energy of (0001 ̅) c-plane GaN surfaces. The density-functional theory (DFT) calculations were performed with the generalized gradient approximation, using...

Calculated formation energy of (1010 ̅) m-plane GaN surfaces. The density-functional theory (DFT) calculations were performed with the generalized gradient approximation, using...

Sheets 1-2: Sulfuric acid high temperature decomposition stream data (E-NRTL Model, simulated in ASPEN Plus, 3/19/2018). Data available from process modeling simulations (using...

This dataset contains structure files and results of density functional theory (DFT) calculations for the 12R (ground state) and 10H (metastable at ambient temperature)...