SHARC meets TEQUILA: mixed quantum-classical dynamics on a quantum computer using a hybrid quantum-classical algorithm
Eduarda Sangiogo Gil, Markus Oppel, Jakob S. Kottmann, Leticia González · Chemical Science · 2024
photoisomerization of methanimine and the electronic relaxation of ethylene. The results show qualitatively accurate molecular dynamics that align with experimental findings and other computational studies. This work is expected to mark a significant step towards achieving a "quantum advantage" for realistic chemical simulations.