| Deciphering chemical order/disorder and material properties at the single-atom level Y Yang, CC Chen, MC Scott, C Ophus, R Xu, A Pryor, L Wu, F Sun, ... Nature 542 (7639), 75-79, 2017 | 330 | 2017 |
| Tuning Fermi Levels in Intrinsic Antiferromagnetic Topological Insulators MnBi2Te4 and MnBi4Te7 by Defect Engineering and Chemical Doping MH Du, J Yan, VR Cooper, M Eisenbach Advanced Functional Materials 31 (3), 2006516, 2021 | 95 | 2021 |
| Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects SF Yuk, KC Pitike, SM Nakhmanson, M Eisenbach, YW Li, VR Cooper Scientific reports 7 (1), 43482, 2017 | 88 | 2017 |
| Machine-learning-assisted insight into spin ice Dy2Ti2O7 AM Samarakoon, K Barros, YW Li, M Eisenbach, Q Zhang, F Ye, ... Nature communications 11 (1), 892, 2020 | 87 | 2020 |
| Robust data-driven approach for predicting the configurational energy of high entropy alloys J Zhang, X Liu, S Bi, J Yin, G Zhang, M Eisenbach Materials & Design 185, 108247, 2020 | 70 | 2020 |
| Monte Carlo simulation of order-disorder transition in refractory high entropy alloys: A data-driven approach X Liu, J Zhang, J Yin, S Bi, M Eisenbach, Y Wang Computational Materials Science 187, 110135, 2021 | 60 | 2021 |
| Effect of lattice vibrations on magnetic phase transition in bcc iron J Yin, M Eisenbach, DM Nicholson, A Rusanu Physical Review B—Condensed Matter and Materials Physics 86 (21), 214423, 2012 | 59 | 2012 |
| Density-functional Monte-Carlo simulation of CuZn order-disorder transition SN Khan, M Eisenbach Physical Review B 93 (2), 024203, 2016 | 53 | 2016 |
| Frontier: exploring exascale S Atchley, C Zimmer, J Lange, D Bernholdt, V Melesse Vergara, T Beck, ... Proceedings of the International Conference for High Performance Computing …, 2023 | 51 | 2023 |
| Predicting the phase stability of multicomponent high-entropy compounds KC Pitike, S Kc, M Eisenbach, CA Bridges, VR Cooper Chemistry of Materials 32 (17), 7507-7515, 2020 | 49 | 2020 |
| Reinventing atomistic magnetic simulations with spin-orbit coupling D Perera, M Eisenbach, DM Nicholson, GM Stocks, DP Landau Physical Review B 93 (6), 060402, 2016 | 48 | 2016 |
| Magnetic anisotropy of monoatomic iron chains embedded in copper M Eisenbach, BL Györffy, GM Stocks, B Újfalussy Physical Review B 65 (14), 144424, 2002 | 45 | 2002 |
| Dislocation core structures and Peierls stresses of the high-entropy alloy NiCoFeCrMn and its subsystems X Liu, Z Pei, M Eisenbach Materials & Design 180, 107955, 2019 | 42 | 2019 |
| OpenMP application experiences: Porting to accelerated nodes S Bak, C Bertoni, S Boehm, R Budiardja, BM Chapman, J Doerfert, ... Parallel Computing 109, 102856, 2022 | 39 | 2022 |
| Accelerated application development: The ORNL Titan experience W Joubert, R Archibald, M Berrill, WM Brown, M Eisenbach, R Grout, ... Computers & Electrical Engineering 46, 123-138, 2015 | 39 | 2015 |
| Collective dynamics in atomistic models with coupled translational and spin degrees of freedom D Perera, DM Nicholson, M Eisenbach, GM Stocks, DP Landau Physical Review B 95 (1), 014431, 2017 | 38 | 2017 |
| GPU acceleration of the locally selfconsistent multiple scattering code for first principles calculation of the ground state and statistical physics of materials M Eisenbach, J Larkin, J Lutjens, S Rennich, JH Rogers Computer Physics Communications 211, 2-7, 2017 | 36 | 2017 |
| A scalable method for ab initio computation of free energies in nanoscale systems M Eisenbach, CG Zhou, DM Nicholson, G Brown, J Larkin, TC Schulthess Proceedings of the Conference on High Performance Computing Networking …, 2009 | 33 | 2009 |
| First principles calculation of finite temperature magnetism in Fe and Fe3C M Eisenbach, DM Nicholson, A Rusanu, G Brown Journal of Applied Physics 109 (7), 2011 | 30 | 2011 |
| New algorithm to enable 400+ TFlop/s sustained performance in simulations of disorder effects in high-Tc superconductors G Alvarez, MS Summers, DE Maxwell, M Eisenbach, JS Meredith, ... SC'08: Proceedings of the 2008 ACM/IEEE Conference on Supercomputing, 1-10, 2008 | 29 | 2008 |
Don Nicholsonresearch professor, University of North Carolina AshevilleVerified email at unca.edu
