TY  - RPRT
TI  - ReaxFF Parameter Set for Boron Clusters and Icosahedral Boron Crystals: Comparison with Density Functional Theory and Machine-Learning Potentials
AU  - Ahmadisharaf, Amin [Kansas State Univ., Manhattan, KS (United States)] (ORCID:0009000346809905)
AU  - van Duin, Adri C. T. [Pennsylvania State Univ., University Park, PA (United States)] (ORCID:0000000234784945)
AU  - Liu, Bin [Kansas State Univ., Manhattan, KS (United States)] (ORCID:0000000178907612)
AU  - Evans, Dylan [Kansas State Univ., Manhattan, KS (United States)]
AU  - Sabouri, Sadra [Univ. of Southern California, Los Angeles, CA (United States)] (ORCID:0000000310472346)
AU  - Comer, Jeffrey [Kansas State Univ., Manhattan, KS (United States)] (ORCID:0000000344371260)
PY  - 2025
DO  - 10.1021/acs.jpcc.5c04822
UR  - https://www.osti.gov/biblio/3010496
ID  - 3010496
ER  -