11 citations · 24 across the 4 of their papers we have counts for
5 papers
The structure and topology of an amorphous metal-organic framework
Thomas C. Nicholas, Daniel F. Thomas du Toit, Louise A. M. Rosset +3
Amorphous metal-organic frameworks are an important emerging materials class that combine the attractive physical properties of the amorphous state with the versatility of metal-or…
The Microscopic Diamond Anvil Cell: Stabilization of Superhard, Superconducting Carbon Allotropes at Ambient Pressure
Xiaoyu Wang, Davide M Proserpio, Corey Oses +3
A metallic covalently bonded carbon allotrope is predicted via first principles calculations. It is composed of an carbon framework that acts as a diamond anvil cell by cons…
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…
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…
Prediction of new sp3 silicon and germanium allotropes from the topology-based multiscale method
Vladimir Saleev, Alexandra Shipilova, Davide Proserpio +1
This article continues our recent publication [I.A. Baburin and D.M. Proserpio and V.A. Saleev and A.V. Shipilova, Phys. Chem. Chem. Phys.17, 1332 (2015)] where we have presented a…