Spin Orbit Coupling effect on spin-forbidden reaction mechanisms

Advanced ReaxFF workshop materials, faster visualization of many atoms

Controlled doping of organic semiconductors

Talks at ICAMM, scripting demo at CECAM Multiscale simulations

Two ADF publications in Nature Chemistry

Seminars at Penn State and Caltech in August

ADF2016.104 subrelease

Promoters in Fischer-Tropsch catalysis

Newsletter May 2016

Periodic energy decomposition analysis