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Quantum indistinguishability plays a crucial role in many low-energy physical phenomena, from quantum fluids to molecular spectroscopy. It is, however, typically ignored in most high temperature processes, particularly for ionic coordinates, implicitly assumed to be distinguishable, incoherent and thus well-approximated classically. We explore chemical reactions involving small symmetric molecules, and argue that in many situations a full quantum treatment of collective nuclear degrees of freedom is essential. Supported by several physical arguments, we conjecture a Quantum Dynamical Selection (QDS) rule for small symmetric molecules that precludes chemical processes that involve direct transitions from orbitally non-symmetric molecular states. As we propose and discuss, the implications of the Quantum Dynamical Selection rule include: (i) a differential chemical reactivity of para- and ortho-hydrogen, (ii) a mechanism for inducing inter-molecular quantum entanglement of nuclear spins, (iii) a new isotope fractionation mechanism, (iv) a novel explanation of the enhanced chemical activity of Reactive Oxygen Species, (v) illuminating the importance of ortho-water molecules in modulating the quantum dynamics of liquid water, (vi) providing the critical quantum-to-biochemical linkage in the nuclear spin model of the (putative) quantum brain, among others.
When molecular transitions strongly couple to photon modes, they form hybrid light-matter modes called polaritons. Collective vibrational strong coupling is a promising avenue for control of chemistry, but this can be deterred by the large number of
There has been a long-standing quest to observe chemical reactions at low temperatures where reaction rates and pathways are governed by quantum mechanical effects. So far this field of Quantum Chemistry has been dominated by theory. The difficulty h
Time-Dependent Density Functional Theory (TDDFT) has recently been extended to describe many-body open quantum systems (OQS) evolving under non-unitary dynamics according to a quantum master equation. In the master equation approach, electronic excit
Machine learning techniques applied to chemical reactions has a long history. The present contribution discusses applications ranging from small molecule reaction dynamics to platforms for reaction planning. ML-based techniques can be of particular i
We propose a quantum system in which the winding number of rotations of a particle around a ring can be monitored and emerges as a physical observable. We explicitly analyze the situation when, as a result of the monitoring of the winding number, the