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Data for: Ab initio control of zeolite synthesis and intergrowth with high-throughput simulations
Schwalbe-Koda, Daniel;
Gómez-Bombarelli, Rafael
Organic Crystals in Electronic and Light-Oriented Technologies (OCELOT) Database v0.01
Ai, Qianxiang;
Ryno, Sean;
Risko, Chad
Dataset for Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations
Ward, Logan;
Blaiszik, Ben;
Foster, Ian;
Assary, Rajeev;
Narayanan, Badri;
Curtiss, Larry
G4MP2-GDB9 Database
Narayanan, Badri;
Redfern, Paul;
Ward, Logan;
Blaiszik, Ben;
Foster, Ian;
Assary, Rajeev S.;
Curtiss, Larry
Database-driven Materials-selection Framework for Semiconductor Heterojunction Design
Shapera, Ethan P.;
Schleife, André
Solute transport database in Mg using ab initio and exact diffusion theory
Agarwal, Ravi;
Trinkle, Dallas R.
High-throughput Ab-initio Dilute Solute Diffusion Database
Morgan, Dane;
Mayeshiba, Tam;
Henry, Wu
Year: 2016
Dataset for High-throughput Ab-initio Dilute Solute Diffusion Database
Wu, Henry;
Mayeshiba, Tam;
Morgan, Dane
The Open Quantum Materials Database
Wolverton, Chris;
Kirklin, Scott;
Hegde, Vinay;
Ward, Logan
Year: 2013