(360ab) Inverse Design of Open Nanocrystal Superlattices Using an Oscillating Pair Potential

Open nanocrystal superlattices are promising candidates for achieving materials with tunable electronic, optical, and mechanical properties, but there are limited scalable strategies for fabricating them. In this work, we computationally investigate the self-assembly of nanocrystals that interact through an oscillating pair potential mimicking long-ranged solvation forces between nanocrystals. We perform inverse design of the pair potential using relative-entropy minimization with our open-source inverse-design software package relentless, and we identify parameters that stabilize a variety of targeted lattice structures. This work may inform new experimental strategies for assembling tailored nanocrystal structures.