A multiscale quantum mechanics/electromagnetics method for device simulations

Frequency-domain multiscale quantum mechanics/electromagnetics simulation method

(2014) Lingyi Meng et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum-Mechanical Prediction of Nanoscale Photovoltaics

(2014) Yu Zhang et al.   Journal of Physical Chemistry Letters

A NOVEL FAST SOLVER FOR POISSON'S EQUATION WITH NEUMANN BOUNDARY CONDITION

(2014) Zu-Hui Ma et al.   Progress in Electromagnetics Research-PIER

A multi-scale modeling of junctionless field-effect transistors

(2013) ChiYung Yam et al.   APPLIED PHYSICS LETTERS

Gauge-invariant and current-continuous microscopic ac quantum transport theory

(2013) JianQiao Zhang et al.   EUROPEAN PHYSICAL JOURNAL B

Communication: Dynamical embedding: Correct quantum response from coupling TDDFT for a small cluster with classical near-field electrodynamics for an extended region

(2013) Yi Gao et al.   JOURNAL OF CHEMICAL PHYSICS

Dissipative time-dependent quantum transport theory

(2013) Yu Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Time-dependent density functional theory quantum transport simulation in non-orthogonal basis

(2013) Yan Ho Kwok et al.   JOURNAL OF CHEMICAL PHYSICS

The Role of N-Doped Multiwall Carbon Nanotubes in Achieving Highly Efficient Polymer Bulk Heterojunction Solar Cells

(2013) Luyao Lu et al.   NANO LETTERS

Single-nanowire solar cells beyond the Shockley–Queisser limit

(2013) Peter Krogstrup et al.   Nature Photonics

InP Nanowire Array Solar Cells Achieving 13.8% Efficiency by Exceeding the Ray Optics Limit

(2013) J. Wallentin et al.   SCIENCE

Coupling atomistic and continuous media models for electronic device simulation

(2013) Matthias Auf der Maur et al.   Journal of Computational Electronics

Methods for fast evaluation of self-energy matrices in tight-binding modeling of electron transport systems

(2012) Jun Z. Huang et al.   JOURNAL OF APPLIED PHYSICS

Time-dependent quantum transport: An efficient method based on Liouville-von-Neumann equation for single-electron density matrix

(2012) Hang Xie et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamic Multiscale Quantum Mechanics/Electromagnetics Simulation Method

(2012) Lingyi Meng et al.   Journal of Chemical Theory and Computation

Record High Efficiency Single-Walled Carbon Nanotube/Silicon p–n Junction Solar Cells

(2012) Yeonwoong Jung et al.   NANO LETTERS

An improved dynamic Monte Carlo model coupled with Poisson equation to simulate the performance of organic photovoltaic devices

(2011) Lingyi Meng et al.   JOURNAL OF CHEMICAL PHYSICS

Multiscale quantum mechanics/electromagnetics simulation for electronic devices

(2011) ChiYung Yam et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Device simulation of low-band gap polymer solar cells: Influence of electron-hole pair dissociation and decay rates on open-circuit voltage

(2010) Yuan Shang et al.   APPLIED PHYSICS LETTERS

Time-dependent density functional theory for quantum transport

(2010) Xiao Zheng et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Padé spectrum decomposition of Fermi function and Bose function

(2010) Jie Hu et al.   JOURNAL OF CHEMICAL PHYSICS

Classical Electrodynamics Coupled to Quantum Mechanics for Calculation of Molecular Optical Properties: a RT-TDDFT/FDTD Approach

(2010) Hanning Chen et al.   Journal of Physical Chemistry C

Broadband Light Absorption Enhancement in Thin-Film Silicon Solar Cells

(2010) Wei Wang et al.   NANO LETTERS

Light Trapping in Silicon Nanowire Solar Cells

(2010) Erik Garnett et al.   NANO LETTERS

Erratum: Enhanced absorption and carrier collection in Si wire arrays for photovoltaic applications

(2010) Michael D. Kelzenberg et al.   NATURE MATERIALS

Nanowire transistors without junctions

(2010) Jean-Pierre Colinge et al.   Nature Nanotechnology

Dynamic Monte Carlo Simulation for Highly Efficient Polymer Blend Photovoltaics

(2009) Lingyi Meng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Donor deactivation in silicon nanostructures

(2009) Mikael T. Björk et al.   Nature Nanotechnology

Design Rules for Donors in Bulk-Heterojunction Tandem Solar Cells?Towards 15 % Energy-Conversion Efficiency

(2008) G. Dennler et al.   ADVANCED MATERIALS

Exact dynamics of dissipative electronic systems and quantum transport: Hierarchical equations of motion approach

(2008) Jinshuang Jin et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamic admittance of carbon nanotube-based molecular electronic devices and their equivalent electric circuit

(2008) ChiYung Yam et al.   NANOTECHNOLOGY