Yun Kyung Shin

3 ta ish

Pennsylvania State University

1. Development of a ReaxFF Reactive Force Field for Fe/Cr/O/S and Application to Oxidation of Butane over a Pyrite-Covered Cr₂O₃ Catalyst

   Yun Kyung Shin, Hyunwook Kwak, Alex V. Vasenkov +2

   Maqola20159 iqtibos

   ABIABI:AkademIndex/2026.other.082911

2. Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field

   Chenyu Zou, Yun Kyung Shin, Adri C. T. van Duin +2

   Maqola20149 iqtibos

   ABIABI:AkademIndex/2026.other.464106

3. The ReaxFF reactive force-field: development, applications and future directions

   Thomas P. Senftle, Sungwook Hong, Md Mahbubul Islam +10

   MaqolaOAOchiq kirish20167 iqtibos

   ABIABI:AkademIndex/2026.other.142271