145 citations · 263 across the 17 of their papers we have counts for
6 papers · 1 filter
Benchmarking First-Principles Approaches for Extracting Magnetic Exchange Interactions
Nafise Rezaei, Artem R. Oganov, Ali Ghojavand +2
Magnetic exchange interactions govern the macroscopic magnetic behavior of solids and underpin both fundamental spin phenomena and emerging technologies. The accurate and efficient…
AI-Driven Discovery of High-Temperature Superconductors via Materials Genome Initiative and High-Throughput Screening
H. Gashmard, H. Shakeripour, M. Alaei
Inspired by nature, this study employs the Materials Genome Initiative to identify key components of HTSC superconductors. Integrating AI with high-throughput screening, we uncover…
Predicting the Curie Temperature of Magnetic Materials with Machine Learning: Descriptor Engineering, Graph Neural Networks, and the Role of Curated Data
Akram Abedi Orang, Mojtaba Alaei, Artem R. Oganov
Predicting the Curie temperature () of magnetic materials is crucial for advancing applications in data storage, spintronics, and sensors. We present a machine learni…
1D Transition Metal Oxide Chains as a Challenging Model for Ab Initio Calculations
Jila Amini, Mojtaba Alaei, Stefano de Gironcoli
Providing highly simplified models of strongly correlated electronic systems that challenge {\it ab initio} calculations can serve as a valuable testing ground to improve these met…
Experimental Exchange Interaction Dataset for Magnetic Materials: Spin Waves to MC Simulations
Mojtaba Alaei, Zahra Mosleh, Nafise Rezaei +1
Inelastic neutron scattering (INS) provides direct insights into microscopic magnetic interactions in crystalline materials, making it a valuable experimental technique in condense…
Evaluating SCAN and rSCAN meta-GGA functionals for predicting transition temperatures in antiferromagnetic materials
Nafise Rezaei, Mojtaba Alaei, Artem R. Oganov
Recent advancements in exchange-correlation functionals within density functional theory highlight the need for rigorous validation across diverse types of materials properties. In…