Ultrafast Transversal CISS Effect Observed in a Chiral Photoswitching Molecule

Chirality induced spin selectivity (CISS) is a fascinating phenomenon with many exciting applications ranging from spintronics to novel enantiomer-specific redox chemistry. CISS effect may also hold a key to a long-standing puzzle, the emergence of homochirality in life. I will describe challenges in theoretical understanding of CISS and present a theoretical platform for modeling this effect. I will also present the results of ab initio simulations in model chiral systems, which show the emergence of spin-polarization and explain its origins. Both electronic and vibrational contributions to CISS will be discussed.