Volume 2, Issue 9 | MRS Advances

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Volume 2, Issue 9

February 2017

Theory, Characterization and Modeling

7 articles in this issue

Nanoscience Applied to Oil Recovery and Mitigation: A Multiscale Computational Approach
Raphael S. Alvim
Vladivostok Suxo
Caetano R. Miranda
OriginalPaper 16 January 2017 Pages: 477 - 482
Systematic Search for Lithium Ion Conducting Compounds by Screening of Compositions Combined with Atomistic Simulation
Daniel Mutter
Daniel F. Urban
Christian Elsässer
OriginalPaper 05 January 2017 Pages: 483 - 489
Towards Reliable Modeling of Challengingf Electrons Bearing Materials: Experience from Modeling of Nuclear Materials
Piotr M. Kowalski
George Beridze
Yan Li
OriginalPaper 16 January 2017 Pages: 491 - 497
Compressed Crystalline Bismuth and Superconductivity — An ab initio computational Simulation
David Hinojosa-Romero
Isaías Rodríguez
Ariel A. Valladares
OriginalPaper 20 January 2017 Pages: 499 - 506
Atomic-Orbital and Plane-Wave Approaches to Ferromagnetic Properties of Ni_xFe_1-x Nanowires
Ikram Ziti
M. R. Britel
Chumin Wang
OriginalPaper 07 February 2017 Pages: 507 - 512
Apparent contradiction between calculated kinetic and potential energy fractions of phonons in molecular solids with implications on condensed-phase chemistry
Brent Kraczek
OriginalPaper 13 February 2017 Pages: 513 - 518
Design of Porous Metal-Organic Frameworks for Adsorption Driven Thermal Batteries
Daiane Damasceno Borges
Guillaume Maurin
Douglas S. Galvão
OriginalPaper 15 February 2017 Pages: 519 - 524