Large-scale first-principles quantum transport simulations using plane wave basis set on high performance computing platforms
Meng Ye, Xiangwei Jiang, Shu‐Shen Li, Lin‐Wang Wang
Topics & Concepts
Wave functionBasis setQuantumStatistical physicsQuantum simulatorDensity functional theoryLinear scaleBasis functionScalingScale (ratio)Ab initioBasis (linear algebra)PhysicsQuantum computerComputer scienceComputational scienceQuantum mechanicsMathematicsGeometryGeographyGeodesySemiconductor materials and devicesQuantum and electron transport phenomenaAdvancements in Semiconductor Devices and Circuit Design