Reactive potentials for advanced atomistic simulations

Annual Review of Materials Research

Volumn 43, Issue , 2013, Pages 109-129

  Liang, Tao ^a   Shin, Yun Kyung ^b   Cheng, Yu Ting ^a   Yilmaz, Dundar E ^c   Vishnu, Karthik Guda ^b   Verners, Osvalds ^b   Zou, Chenyu ^b   Phillpot, Simon R ^a   Sinnott, Susan B ^a   Van Duin, Adri C T ^b  

^a J Crayton Pruitt Family Department of Biomedical Engineering   (United States)

^b The Pennsylvania State University   (United States)

^c ZIRVE UNIVERSITY   (Turkey)

Author keywords

Charge optimized many body potential; COMB; Reactive empirical potential; Reactive force fields; ReaxFF; Variable charge potential

Indexed keywords

COMB; EMPIRICAL POTENTIALS; MANY-BODY POTENTIALS; REACTIVE FORCE FIELD; REAXFF; VARIABLE-CHARGE POTENTIAL;

MATERIALS SCIENCE;

OPTIMIZATION;

EID: 84880216933     PISSN: 15317331     EISSN: None     Source Type: Book Series    
DOI: 10.1146/annurev-matsci-071312-121610     Document Type: Review

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