195 citations · 1.1k across the 25 of their papers we have counts for
26 papers
High-throughput design of all-d-metal Heusler alloys for magnetocaloric applications
Nuno M. Fortunato, Xiaoqing Li, Stephan Schönecker +6
Due to their versatile composition and customizable properties, ABC Heusler alloys have found applications in magnetic refrigeration, magnetic shape memory effects, permanent m…
Giant anomalous Hall and Nernst conductivities in magnetic all- metal Heusler alloys
Md Farhan Tanzim, Nuno Fortunato, Ilias Samathrakis +4
All- Heuslers are a category of novel compounds combining versatile functionalities such as caloric responses and spintronics with enhanced mechanical properties. Despite the pr…
High-throughput screening of Half-antiperovskites with a stacked kagome lattice
Harish K. Singh, Amit Sehrawat, Chen Shen +4
Half-antiperovskites (HAPs) are a class of materials consisting of stacked kagome lattices and thus host exotic magnetic and electronic states. We perform high-throughput calculati…
Designing of Magnetic MAB Phases for Energy Applications
Chen Shen, Qiang Gao, Nuno M. Fortunato +4
Based on high-throughput density functional theory calculations, we performed screening for stable magnetic MAB compounds and predicted potential strong magnets for permanent magne…
Constrained crystals deep convolutional generative adversarial network for the inverse design of crystal structures
Teng Long, Nuno M. Fortunato, Ingo Opahle +5
Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput scre…
Effect of N, C and B interstitials on the structural and magnetic properties of alloys with CuAu-structure
Ingo Opahle, Harish K. Singh, Jan Zemen +2
High-throughput density functional calculations are used to investigate the effect of interstitial B, C and N atoms on 21 alloys reported to crystallize in the cubic CuAu struc…