Volume 1523, Issue 1 | MRS Online Proceedings Library

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Volume 1523, Issue 1

December 2013

Symposium QQ — Materials Informatics

Issue Editors:

R. Ramprasad,
R. Devanathan,
C. Breneman,
A. Tkatchenko

5 articles in this issue

Bandgap Engineering of Double Perovskites for One- and Two-photon Water Splitting
Ivano E. Castelli
Kristian S. Thygesen
Karsten W. Jacobsen
Articles 22 March 2013 Article: 706
Automatic Determination of Tight-Binding Parameters in Bulk Systems
Yasuaki Ohtani
Takeo Fujiwara
Yasunari Zempo
Articles 23 April 2013 Article: 608
MOFIA: a chemoinformatic webserver for the prediction of CO₂ adsorption in metal organic frameworks (MOF)
Michael Fernandez
Tom D. Daff
Tom K. Woo
Articles 07 February 2013 Article: 508
Ab initio based large-scale screening of hypothetical MOFs for carbon capture application
Thomas D. Daff
Tom K. Woo
Articles 15 February 2013 Article: 403
Neural Networks for Computational Chemistry: Pitfalls and Recommendations
Grégoire Montavon
Klaus-Robert Müller
Articles 21 February 2013 Article: 305