73 citations · 550 across the 21 of their papers we have counts for
3 papers · 1 filter
Crystal polymorph selection mechanism of hard spheres hidden in the fluid
Gabriele M. Coli, Robin van Damme, C. Patrick Royall +1
Nucleation plays a critical role in the birth of crystals and is associated with a vast array of phenomena such as protein crystallization and ice formation in clouds. Despite nume…
Inverse design of soft materials via a deep-learning-based evolutionary strategy
Gabriele Maria Coli, Emanuele Boattini, Laura Filion +1
Colloidal self-assembly -- the spontaneous organization of colloids into ordered structures -- has been considered key to produce next-generation materials. However, the present-da…
Machine-learning free-energy functionals using density profiles from simulations
Peter Cats, Sander Kuipers, Sacha de Wind +4
The formally exact framework of equilibrium Density Functional Theory (DFT) is capable of simultaneously and consistently describing thermodynamic and structural properties of inte…