Check out our most recent collaborative effort with the Dantus group, published in Scientific Reports. This paper describes a combined experimental and theoretical study of the mechanisms of H3+ formation from methanol in a strong laser field. Two different mechanisms were observed in AIMD simulations at the full-valence CAS level (carried out by Muath using Scott’s GPU-accelerated CAS code).
Also check out this awesome video on this work, created by Dantus-group undergraduate Patrick Pawlaczyk.
Levine Research Group at Stony Brook University 