Ab-initio reaction models from hybrid reactive molecular dynamics and QM chemistry simulations

Krep, Lukas; Döntgen, Malte; Schmalz, Felix; Kopp, Wassja Alexander; Kröger, Leif Christian; Leonhard, Kai (Corresponding author)

(2019)
Konferenzbeitrag (After Call)

In: 17. International Conference on Numerical Combustion Aachen 2019-05-06 - 2019-05-08