Spontaneous dynamical self-organization

Research of molecular machines is a frontline in biology and chemistry, and an important application of nonequilibrium statistical physics. I introduce  novel, theoretical physics based paradigms to explain how autonomous rotating molecular machines operate.

They are deformable bodies, and deformability is pivotal for theirfunction: I combine the concept of symmetry breakingwith topological and geometrical tools to explain why geometry of the shape space makes fast cyclic motions such asindividual atom thermal (quantum) vibrations to self-organize into a uniform rotational motion of the entire molecule.

For this I inspect the molecule by systematically increasing the length of stroboscopicobservation time steps.

Whenever the holonomy of shape space is nontrivial, a spontaneous dynamical self-organization can occur even with no angular momentum.

I develop an analogy between autonomouslyrotating molecules and effective theory time crystals, and present aneffective theory approach to explain why many biomolecular rotors are so super-effective in sustaining their rotational motion.

I combine my theoretical approach with detailed all-atom molecular dynamics simulations to design novel cyclic and knotted molecular rotors.

My proof of concept is my analysis of a cyclopropane molecule that reveals in detail howspontaneous symmetry breaking causes its  individual atom vibrations to transduce into a stroboscopically uniform and sustainable rotational motion of the entire molecule.