This workshop is intended to promote interactions and catalyze collaborations between theorists and experimentalists who seek to advance frontiers of molecular science where novel quantum mechanical effects play an important role. Topics of interest include using coherence and entanglement to enhance the function of molecular systems, exploring unconventional regimes of light-matter interactions (molecules in cavities or intense laser environments) to recreate nontrivial states of matter, gauge fields and control molecular phenomena, and exploring the possible impact of recent developments of quantum mechanics in the molecular sciences. There is a large number of TSRC workshops intended for computational methods in electronic structure and dynamics, but not so many for the discussion of new phenomena and theoretical concepts; this workshop aims to fill this gap.