Dooman Akbarian

Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force Field

Małgorzata Kowalik, Chowdhury Ashraf, Behzad Damirchi et al. · The Journal of Physical Chemistry B · 2019 · 271 citations · Full text

Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields

Itai Leven, Hongxia Hao, Songchen Tan et al. · Journal of Chemical Theory and Computation · 2021 · 75 citations · Full text

Engineering, Mechanical Engineering, Reactive Force Field +21

Understanding the influence of defects and surface chemistry on ferroelectric switching: a ReaxFF investigation of BaTiO₃

Dooman Akbarian, Dündar E. Yılmaz, Ye Cao et al. · Physical Chemistry Chemical Physics · 2019 · 61 citations · Full text

Atomistic-scale insights into the crosslinking of polyethylene induced by peroxides

Dooman Akbarian, Hossein Hamedi, Behzad Damirchi et al. · Polymer · 2019 · 60 citations

Chemical Engineering, Engineering, Cross-link +8

Converting PBO fibers into carbon fibers by ultrafast carbonization

Liwen Zhang, Małgorzata Kowalik, Zan Gao et al. · Carbon · 2019 · 45 citations · Full text

Materials Science, Pbo Fibers, High-performance Fiber