Downloadable ReaxFF-related publications
- Hydrocarbon potential (van Duin et al.,JPC-A 2001)
- Si/SiO2 potential (van Duin el al.,JPC-A 2003)
- Isorenieratene cyclization (van Duin and Sinninghe Damste, Org.Geochem. 2003)
- Shock waves in RDX (Strachan et al, PRL 2003)
- Al/AlO potential (Zhang et al., PRB 2004)
- ReaxFF application to RDX cookoff (Strachan et al, JCP 2005)
- Ni/Cu/Co/C potential (Nielson et al., JPC-A 2005)
- Ni/Cu/Co/C potential: supplementary material (force field equations)
- Ni/Cu/Co/C potential: supplementary material (force field parameters)
- Mg/MgH potential (Cheung et al., JPC-A 2005)
- PDMS thermal degradation (Chenoweth et al., JACS 2005)
- ReaxFF simulations on TATP (van Duin et al., JACS 2005)
- Li/LiC potential (Han et al., JPC-A 2005)
- Boron nitride nanotube potential (Han et al., JCP 2005)
- ReaxFF application to nanomaille (Chen et al., PRB 2005)
- ReaxFF application to H2 liquefaction (Han et al., App.Phys.Letters 2005)
- ReaxFF application to Si-cracking (Buehler et al., PRL 2006)
- ReaxFF Fuel cell applications (Goddard et al., Mol.Sim. 2006)
- ReaxFF application to metal-oxide catalysis (Goddard et al., Topics in Catalysis 2006)
- Parallel ReaxFF (Nakano et al., 2006)
- ReaxFF application to H2/Pt-surfaces (Ludwig et al, JPC-B 2006)
Last modified: Nov 23, 2005