1. 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

2. 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

3. 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

4. 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

5. 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

6. 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

7. 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