Markus Eisenbach Contact 865.241.1342 | EISENBACHM@ORNL.GOV All Publications A scalable algorithm for the optimization of neural network architectures Monte Carlo simulation of order-disorder transition in refractory high entropy alloys: A data-driven approach Fast and stable deep-learning predictions of material properties for solid solution alloys Tuning Fermi Levels in Intrinsic Antiferromagnetic Topological Insulators MnBi 2 Te 4 and MnBi 4 Te 7 by Defect Engineering and Chemical Doping Electron spin mediated distortion in metallic systems Equilibrium solute segregation to matrix-θ′ precipitate interfaces in Al-Cu alloys from first principles Predicting the Phase Stability of Multicomponent High-Entropy Compounds Machine-learning-assisted insight into spin ice Dy2Ti2O7 Robust data-driven approach for predicting the configurational energy of high entropy alloys Locally self-consistent embedding approach for disordered electronic systems Dislocation core structures and Peierls stresses of the high-entropy alloy NiCoFeCrMn and its subsystems First-principles study of order-disorder transitions in multicomponent solid-solution alloys Hidden Mn magnetic-moment disorder and its influence on the physical properties of medium-entropy NiCoMn solid solution alloys Transition from the twinning induced plasticity to the γ-ε transformation induced plasticity in a high manganese steel... Histogram-free multicanonical Monte Carlo sampling to calculate the density of states... Error controlling of the combined Cluster-Expansion and Wang–Landau Monte-Carlo method and its application to FeCo Real-Space Multiple-Scattering Theory and Its Applications at Exascale Combined molecular and spin dynamics simulation of bcc iron with lattice vacancies Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme A histogram-free multicanonical Monte Carlo algorithm for the construction of analytical density of states... A New Scaling Approach for the Mesoscale Simulation of Magnetic Domain Structures using Monte Carlo Simulations... Acceleration of the Particle Swarm Optimization for Peierls-Nabarro modeling of dislocations in conventional and high-entropy alloys Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects... Deciphering chemical order/disorder and material properties at the single-atom level... GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calculation of the Ground State ... Pagination First page « First Previous page ‹â¶Ä¹ Page 1 Current 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
