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Xiao Zheng
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Tracking Electron Dynamics of Single Molecules in Scanning Tunneling Microscopy Junctions with Laser Pulses
Multiscale Quantum Mechanics/Electromagnetics Method for the Simulation of Photovoltaic Devices
Enhanced photocurrent in heterostructures formed between CH3NH3PbI3 perovskite films and graphdiyne
First-principles study of mixed cation methylammonium-formamidinium hybrid perovskite
Theoretical investigation of real-time charge dynamics in open systems coupled to bulk materials
Enhanced photovoltaic properties induced by ferroelectric domain structures in organometallic halide perovskites
Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions
Time-dependent density functional theory quantum transport simulation in non-orthogonal basis
Gauge-invariant and current-continuous microscopic ac quantum transport theory
Time-dependent quantum transport: an efficient method based on Liouville-von-Neumann equation for single-electron density matrix
First-principles Liouville–von Neumann equation for open systems and its applications
Time-dependent versus static quantum transport simulations beyond linear response
Existence of time-dependent density-functional theory for open electronic systems: Time-dependent holographic electron density theorey
Time-dependent current distributions of a two-terminal carbon nanotube-based electronic device
Time-dependent density functional theory for quantum transpor
Computer simulation of Feynman’s ratchet and pawl system
Dynamic admittance of carbon nanotube-based molecular electronic devices and their equivalent electric circuit
Time-dependent density-functional theory for open systems
Maxwell’s demon and smoluchowski’s trap door
Some recent progresses in density-functional theory: efficiency, accuracy, and applicability
Linear-scaling quantum mechanical methods for nanoscopic structures
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