Tutorial: Battery Discharge Voltages with Grand Canonical Monte Carlo / ReaxFF

Tutorial: Li-ion diffusion coefficients with ReaxFF

Discuss computational chemical engineering at WCCE10

Developers Tomáš Trnka (ReaxFF) and Nick Austin (COSMO-RS) join SCM

A ReaxFF force field for sodium intrusion in graphitic cathodes

Advanced ReaxFF workshop materials, faster visualization of many atoms

Hydrogen embrittlement of steels: a ReaxFF study

Dyes on TiO2: ReaxFF + TDDFT study

H2 production by PAH gasification

Characterizing aqueous cysteine in bulk and at the surface