Optimizing the shape and chemical ordering of nanoalloys with specialized walkers
D Rapetti, C Roncaglia… - Advanced Theory and …, 2023 - Wiley Online Library
New algorithms for the optimization of alloy nanoparticles (nanoalloys) are presented. The
new algorithms are based on the concept of multiple basin‐hopping walkers running in …
new algorithms are based on the concept of multiple basin‐hopping walkers running in …