We’ve developed shnitsel-tools: a powerful, user-friendly package for analyzing trajectory surface hopping simulations. No more tedious scripting or fragmented analysis! With shnitsel-tools, you can automate filtering, visualize dynamics, and uncover excited-state mechanisms across multiple molecules.
Check out our demo on alkenes (CnH2n with n={2,3,4}) and CNH4+ to see how st makes comparative analysis across chemical space fast and reproducible.