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Keyword
- DFT1
- DFT-MD1
- VASP[remove]1
- density functional theory1
- energy minimization[remove]1
- fracking1
- hydraulic fracturing1
- illite[remove]1
- interaction energy1
- interfacial energy1
- interfacial tension[remove]1
- marcellus shale1
- molecular dynamics1
- molecular modeling1
- scCO21
- supercritical CO21