3 papers
cond-mat.mes-hall2025
Dynamic Carrier Modulation via Nonlinear Acoustoelectric Transport in van der Waals Heterostructures
Timothy J. McSorley, Kaustubh Simha, James E. Corcoran +8
Dynamically manipulating carriers in van der Waals heterostructures could enable solid-state quantum simulators with tunable lattice parameters. A key requirement is forming deep p…
cond-mat.mtrl-sci2025
ABACUS: An Electronic Structure Analysis Package for the AI Era
Weiqing Zhou, Daye Zheng, Qianrui Liu +55
ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It…
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…