Density Functional Calculations of Native Defects in CH3NH3PbI3: Effects of Spin-Orbit Coupling and Self-Interaction Error ... Journal April, 2015
Self-Evolving Atomistic Kinetic Monte Carlo Simulations of Defects in Materials... Journal April, 2015
Solving the self-interaction problem in Kohn–Sham density functional theory:Application to atoms... Journal April, 2015
Following atomistic kinetics on experimental timescales with the kinetic Activation–Relaxation Technique... Journal April, 2015
Ferromagnetism and Nonmetallic Transport of Thin-Film α-FeSi2: A Stabilized Metastable Material... Journal April, 2015
Structural Stability and Defect Energetics of ZnO from Diffusion Quantum Monte Carlo... Journal April, 2015
Twisting Phonons in Higher Manganese Silicides with a Complex Nowotny Chimney Ladder Structure... Journal April, 2015
Fragmentation of displacement cascades into subcascades: A molecular dynamics study... Journal March, 2015