1.7k citations · 10.9k across the 105 of their papers we have counts for
111 papers
PAOFLOW: an automated suite for ab initio electronic, transport, and topological properties of materials
Anooja Jayaraj, Sergio Alvarruiz, Mia Falatko +10
High-throughput first-principles property calculations are often constrained by costly post-processing and dense Brillouin-zone sampling, impeding the creation of large, internally…
Composition/structure directed search for new chalcogenide compounds
Alon Hever, Ohad Levy, Stefano Curtarolo +1
This work presents a simple scheme for finding new crystalline compounds by adapting structure types from neighbor atoms compounds. The approach is demonstrated for the selenide an…
Magnetic Transparent Conductors for Spintronic Applications
Pino D'Amico, Alessandra Catellani, Alice Ruini +4
Transparent Conductors (TCs) exhibit optical transparency and electron conductivity, and are essential for many opto-electronic and photo-voltaic devices. The most common TCs are e…
Interfacial defect properties of high-entropy carbides: Stacking faults, Shockley partial dislocations, and a new Evans-Polanyi-Semenov relation
Samuel E. Daigle, Stefano Curtarolo, William G. Fahrenholtz +4
Using first principles calculations, {111} intrinsic stacking fault (ISF) energies in Group IVB, VB, and VIB high-entropy transition metal carbides are shown to be predictable from…
AFLOW for alloys
Cormac Toher, Stefano Curtarolo
Many different types of phases can form within alloys, from highly-ordered intermetallic compounds, to structurally-ordered but chemically-disordered solid solutions, and structura…
Materials Design for Hypersonics
Adam B. Peters, Dajie Zhang, Samuel Chen +6
Hypersonic vehicles must withstand extreme conditions during flights that exceed five times the speed of sound. These systems have the potential to facilitate rapid access to space…