Markus Eisenbach Contact 865.241.1342 | EISENBACHM@ORNL.GOV All Publications Rigorous computation of short-range order unifies its controversial effects in complex concentrated alloys Combined molecular and spin dynamics simulation of BCC iron with vacancy defects First-principles data for solid solution niobium-tantalum-vanadium alloys with body-centered-cubic structures Integrating quantum computing resources into scientific HPC ecosystems... Transferring predictions of formation energy across lattices of increasing size* Frontier: Exploring Exascale First-principles residual resistivity using a locally self-consistent multiple scattering method Crystallographic and temperature effects in low-energy collisions for plasma–material interactions... Experiences readying applications for Exascale Frontier: Exploring Exascale Nanoscale fluctuation of stacking fault energy strengthens multi-principal element alloys Evaluating the Cloud for Capability Class Leadership Workloads... Ready for the Frontier: Preparing Applications for the World’s First Exascale System Order Parameter Engineering for Random Systems Machine Learning for First Principles Calculations of Material Properties for Ferromagnetic Materials Exploiting Machine Learning in Multiscale Modelling of Materials Ab initio approaches to high-entropy alloys: a comparison of CPA, SQS, and supercell methods Learning to Scale the Summit: AI for Science on a Leadership Supercomputer Fast and Accurate Predictions of Total Energy for Solid Solution Alloys with Graph Convolutional Neural Networks OpenMP application experiences: Porting to accelerated nodes Computationally Accelerated Discovery of High Entropy Pyrochlore Oxides Non-local corrections to the typical medium theory of Anderson localization Application of the locally self-consistent embedding approach to the Anderson model with non-uniform random distributions Magnetic properties of CrFeCoNi based high entropy alloys Hands-on with OWL: the Oak–Ridge Wang–Landau Monte Carlo software suite... Pagination Current page 1 Page 2 Page 3 … Next page ›â¶Äº Last page Last » Key Links Organizations Computing and Computational Sciences Directorate National Center for Computational Sciences Science Engagement Section Advanced Computing for Chemistry and Materials Group
