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cond-mat.mes-hall2024
Multihyperuniformity in high entropy MXenes
Yu Liu, Mohan Chen
MXenes are a large family of two-dimensional transition metal carbides and nitrides that possess excellent electrical conductivity, high volumetric capacitance, great mechanical pr…
cond-mat.mtrl-sci2024
GPU Acceleration of Numerical Atomic Orbitals-Based Density Functional Theory Algorithms within the ABACUS package
Haochong Zhang, Zichao Deng, Yu Liu +4
With the fast developments of high-performance computing, first-principles methods based on quantum mechanics play a significant role in materials research, serving as fundamental…