Concepedia

Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks

Benjamin J. Bucior, N. Scott Bobbitt, Timur İslamoğlu, Subhadip Goswami, Arun Gopalan, Taner Yildirim, Omar K. Farha, Neda Bagheri, Randall Q. Snurr

Molecular Systems Design & Engineering · 2018 · 307 citations · 58 references

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Concepts

Abstract

A new, energy-based descriptor for porous materials is highly predictive for hydrogen adsorption using an interpretable regression model.

References

58

Regression Shrinkage and Selection Via the Lasso

Robert Tibshirani · Journal of the Royal Statistical Society Series B (Statistical Methodology) · 1996 · 51.8K citations

, , +17

Regularization Paths for Generalized Linear Models via Coordinate Descent

Jerome H. Friedman, Trevor Hastie, Robert Tibshirani · Journal of Statistical Software · 2010 · 17.1K citations · Full text

, , +17

The Chemistry and Applications of Metal-Organic Frameworks

Hiroyasu Furukawa, Kyle E. Cordova, M. O’Keeffe et al. · Science · 2013 · 16.5K citations

, , +16

Regularization Paths for Generalized Linear Models via Coordinate Descent.

Jerome H. Friedman, Trevor Hastie, Rob Tibshirani · PubMed · 2010 · 14K citations · Full text

, , +17

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

, , +14