2 papers
cond-mat.mtrl-sci2025
Exploring the magnetic landscape of easily-exfoliable two-dimensional materials
Fatemeh Haddadi, Davide Campi, Flaviano dos Santos +4
Magnetic materials often exhibit complex energy landscapes with multiple local minima, each corresponding to a self-consistent electronic structure solution. Finding the global min…
cond-mat.mtrl-sci2025
Accurate and efficient protocols for high-throughput first-principles materials simulations
Gabriel de Miranda Nascimento, Flaviano José dos Santos, Flaviano José dos Santos +4
Advancements in theoretical and algorithmic approaches, workflow engines, and an ever-increasing computational power have enabled a novel paradigm for materials discovery through f…