Accelerated reactive dynamics and automated reaction detection for ReaxFF

Goumans, Fedor (Corresponding author); Bal, Kristof; Döntgen, Malte; Neyts, Erik; Leonhard, Kai; Carstensen, Ole; Yakovlev, Alexei; Trnka, Tomas

Washington, DC : Office of Soc. Services, ACS (2018)
Abstract, Contribution to a book, Contribution to a conference proceedings

In: ACS national meeting. - 256
Page(s)/Article-Nr.: 230


  • Chair and Institute of Technical Thermodynamics [412110]