2 papers
cond-mat.mtrl-sci2021
Designing all graphdiyne materials as graphene derivatives: topologically driven modulation of electronic properties
Patrick Serafini, Alberto Milani, Davide M. Proserpio +1
Designing new 2D systems with tunable properties is an important subject for science and technology. Starting from graphene, we developed an algorithm to systematically generate 2D…
cond-mat.mtrl-sci2019
Predicting Superhard Materials via a Machine Learning Informed Evolutionary Structure Search
Patrick Avery, Xiaoyu Wang, Davide M. Proserpio +5
Good agreement was found between experimental Vickers hardnesses, , of a wide range of materials and those calculated by three macroscopic hardness models that employ t…