| Recent advances for improving the accuracy, transferability, and efficiency of reactive force fields I Leven, H Hao, S Tan, X Guan, KA Penrod, D Akbarian, B Evangelisti, ... Journal of chemical theory and computation 17 (6), 3237-3251, 2021 | 56 | 2021 |
| Atomistic-scale insights into the crosslinking of polyethylene induced by peroxides D Akbarian, H Hamedi, B Damirchi, DE Yilmaz, K Penrod, ... Polymer 183, 121901, 2019 | 53 | 2019 |
| Binding by TRBP-dsRBD2 does not induce bending of double-stranded RNA R Acevedo, D Evans, KA Penrod, SA Showalter Biophysical journal 110 (12), 2610-2617, 2016 | 7 | 2016 |
| Using C-DFT to develop an e-ReaxFF force field for acetophenone radical anion KA Penrod, MA Burgess, D Akbarian, I Dabo, WH Woodward, ... The Journal of Chemical Physics 155 (21), 2021 | 2 | 2021 |
| eReaxFF force field development for BaZr0.8Y0.2O3-δ solid oxide electrolysis cells applications MJ Hossain, P Gaikwad, YK Shin, JA Schulze, KA Penrod, M Li, Y Lin, ... npj Computational Materials 10 (1), 136, 2024 | | 2024 |
| Developing eReaxFF Force Fields for Peroxide and Radical Chemistry in the Contexts of Polymer Dielectric Breakdown and Oxidative Damage Induced by Reactive Oxygen Species KA Penrod | | 2021 |
| Exploring RNA Flexibility Using Molecular Dynamics KA Penrod | | 2017 |
