Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects... Journal March, 2017
A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD)... Journal February, 2017
Deciphering chemical order/disorder and material properties at the single-atom level... Journal February, 2017
GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calculation of the Ground State ... Journal February, 2017
Collective dynamics in atomistic models with coupled translational and spin degrees of freedom Journal January, 2017
On the Ignition and the Combustion of Supercritical Fuel Jet-In-Cross-Flow Conference Paper January, 2017
Large Scale Calculations for Material Sciences using Accelerators to improve Time to Solution and Energy to Solution... Journal January, 2017
Towards Achieving Performance Portability Using Directives for Accelerators... Conference Paper November, 2016
