Markus Eisenbach Contact EISENBACHM@ORNL.GOV All Publications GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calculation of the Ground State ... Collective dynamics in atomistic models with coupled translational and spin degrees of freedom Large Scale Calculations for Material Sciences using Accelerators to improve Time to Solution and Energy to Solution... A full-potential approach to the relativistic single-site Green’s function GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calculation of the Ground State and Statistical Physics of Materials Reinventing atomic magnetic simulations with spin-orbit coupling... Density-functional Monte-Carlo simulation of CuZn order-disorder transition... Exploring Replica-Exchange Wang-Landau sampling in higher-dimensional parameter space Magnetic Materials at finite Temperatures: thermodynamics and combined spin and molecular dynamics derived from first princip... Accelerated Application Development: The ORNL Titan Experience CUDA Grid-Level Task Progression Algorithms Alignment of Iron Nanoparticles in a Magnetic Field Due to Shape Anisotropy... Replica-exchange Wang–Landau sampling: pushing the limits of Monte Carlo simulations in materials sciences... Accelerated Application Development: The ORNL Titan Experience Performance of Replica-Exchange Wang-Landau Sampling for the 2D Ising Model: A Brief Survey... Combined molecular dynamics-spin dynamics simulations of bcc iron... Phonon-magnon interactions in BCC iron: A combined molecular and spin dynamics study Exact Enumeration of the Phase Space of an Ising Model of Ni2MnGa... Toward Abstracting the Communication Intent in Applications to Improve Portability and Productivity... Effect of longitudinal degree of freedom of magnetic moment in body-centered-cubic iron Effect of lattice vibrations on magnetic phase transition in BCC Iron Perturbation calculation of thermodynamic density of states... Convergence for the Wang-Landau Density of States... A Theoretical Study of the Magnetic Structure of Bulk Iron with Radiation Defects First principles calculation of finite temperature magnetism in Fe and Fe3C... Pagination First page « First Previous page ‹‹ … Page 2 Current page 3 Page 4 Next page ›› Last page Last » Key Links ORCID Organizations Computing and Computational Sciences Directorate National Center for Computational Sciences Science Engagement Section Advanced Computing for Chemistry and Materials Group
