A generalized multi-dimensional mathematical model for charging and discharging processes in a supercapacitor
S. Allu, B. Velamur Asokan, W. A. Shelton, B. Philip, and S. Pannala

Improved All-Carbon Spintronic Device Design
Zachary Bullard, Eduardo Costa Giraõ, Jonathan R. Owens, William A. Shelton, and Vincent Meunier

Strain-dependence of the structure and ferroic properties of epitaxial Ni1 - XTi1 - yO3 thin films grown on sapphire substrates
Tamas Varga, Timothy C. Droubay, Mark E. Bowden, Sean A. Stephens, Sandeep Manandhar, Vaithiyalingam Shutthanandan, Robert J. Colby, Dehong Hu, William A. Shelton, and Scott A. Chambers

Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations
Kiran Bhaskaran-Nair, Marat Valiev, S. H.M. Deng, William A. Shelton, Karol Kowalski, and Xue Bin Wang

Electronic, structural, and magnetic properties of LaMnO3 phase transition at high temperature
Pablo Rivero, Vincent Meunier, and William Shelton

Madness: A multiresolution, adaptive numerical environment for scientific simulation
Robert J. Harrison, Gregory Beylkin, Florian A. Bischoff, Justus A. Calvin, George I. Fann, Jacob Fosso-Tande, Diego Galindo, Jeff R. Hammond, Rebecca Hartman-Baker, Judith C. Hill, Jun Jia, Jakob S. Kottmann, M. J.Yvonne Ou, Junchen Pei, Laura E. Ratcliff, Matthew G. Reuter, Adam C. Richie-Halford, Nichols A. Romero, Hideo Sekino, William A. Shelton, Bryan E. Sundahl, W. Scott Thornton, Edward F. Valeev, Álvaro Vázquez-Mayagoitia, Nicholas Vence, Takeshi Yanai, and Yukina Yokoi

Uniaxial pressure-induced half-metallic ferromagnetic phase transition in LaMnO3
Pablo Rivero, Vincent Meunier, and William Shelton

Coupled cluster Green function: Model involving single and double excitations
Kiran Bhaskaran-Nair, Karol Kowalski, and William A. Shelton

Petascale Simulations of the Morphology and the Molecular Interface of Bulk Heterojunctions
Jan Michael Y. Carrillo, Zach Seibers, Rajeev Kumar, Michael A. Matheson, John F. Ankner, Monojoy Goswami, Kiran Bhaskaran-Nair, William A. Shelton, Bobby G. Sumpter, and S. Michael Kilbey

Surface properties of hydrogenated diamond in the presence of adsorbates: A hybrid functional DFT study
Pablo Rivero, William Shelton, and Vincent Meunier

Multiscale modeling of pure nickel
Shane A. Brauer, Imran Aslam, Andrew Bowman, Bradley Huddleston, Justin Huges, Daniel Johnson, William B. Lawrimore, Luke A. Peterson, William Shelton, and Mark F. Horstemeyer

Half-metallic ferromagnetism in Sr3 Ru2 O7
Pablo Rivero, Vincent Meunier, and William Shelton

Benchmarking the Fundamental Electronic Properties of small TiO2 Nanoclusters by GW and Coupled Cluster Theory Calculations
Enrico Berardo, Ferdinand Kaplan, Kiran Bhaskaran-Nair, William A. Shelton, Michiel J. Van Setten, Karol Kowalski, and Martijn A. Zwijnenburg

Revealing out-of-equilibrium hidden phases in Sr3Ru2 O7 by applying stress
Pablo Rivero, Vincent Meunier, and William Shelton

Relative cooling power enhancement by tuning magneto-structural stability in Ni-Mn-In Heusler alloys
Jing Han Chen, Nickolaus M. Bruno, Zhenhua Ning, William A. Shelton, Ibrahim Karaman, Yujin Huang, Jianguo Li, and Joseph H. Ross

Anomalous magnetic behavior of Ba2CoO4 with isolated CoO4 tetrahedra
Qiang Zhang, Guixin Cao, Feng Ye, Huibo Cao, Masaaki Matsuda, D. A. Tennant, Songxue Chi, S. E. Nagler, W. A. Shelton, Rongying Jin, E. W. Plummer, and Jiandi Zhang

The crystal structures and magnetic properties of TiFeSi coexisting in hexagonal and orthorhombic symmetries
Madalynn Marshall, Jasmine Sanford, William Shelton, and Weiwei Xie

Inter-quintuple layer coupling and topological phase transitions in the chalcogenide topological insulators
K. Shirali, W. A. Shelton, and I. Vekhter

Spin Reorientation in Antiferromagnetic Layered FePt5P
Xin Gui, Madalynn Marshall, Ranuri S. Dissanayaka Mudiyanselage, Ryan A. Klein, Qiang Chen, Qiang Zhang, William Shelton, Haidong Zhou, Craig M. Brown, Huibo Cao, Martha Greenblatt, and Weiwei Xie

Thermoelectric properties of SnSe and SnSe2 single crystals
Abhinna Rajbanshi, Daniel Duong, Eklavya Thareja, Williams A. Shelton, and Rongying Jin