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List of works by Yu Zhang

A multiscale quantum mechanics/electromagnetics method for device simulations

scientific article

A variational approach for dissipative quantum transport in a wide parameter space ⬇️

scientific article published on 01 September 2015

Advantages of Conical Pores for Ion Pumps

An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem

scientific article published on 20 May 2021

An approximate framework for quantum transport calculation with model order reduction ⬇️

Comprehensive Experimental and Computational Spectroscopic Study of Hexacyanoferrate Complexes in Water: From Infrared to X-ray Wavelengths

scientific article published on 09 May 2018

Conical Nanopores for Efficient Ion Pumping and Desalination

scientific article published on 7 June 2017

Core and valence excitations in resonant X-ray spectroscopy using restricted excitation window time-dependent density functional theory ⬇️

scientific article published on November 21, 2012

Dissipative time-dependent quantum transport theory

scientific article published in April 2013

Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics ⬇️

scientific article published in April 2015

Double core hole valence-to-core x-ray emission spectroscopy: A theoretical exploration using time-dependent density functional theory

scientific article published on 01 October 2019

Entangled Valence Electron–Hole Dynamics Revealed by Stimulated Attosecond X-ray Raman Scattering ⬇️

scientific article published on August 8, 2012

First-principles time-dependent quantum transport theory

article by Yu Zhang et al published 8 February 2013 in Physical Review B

Fundamental Limitations to Plasmonic Hot-Carrier Solar Cells

Identifying Cu(ii)-amyloid peptide binding intermediates in the early stages of aggregation by resonance Raman spectroscopy: a simulation study.

scientific article

Interference and Molecular Transport-A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenes

scientific article published on 29 July 2014

Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability

article

Kinetic Master Equation Modeling of an Artificial Protein Pump

Light-Driven Ca(2+) Ion Pump: How Does It Work?

scientific article published on 30 November 2015

Mixed-Valence Superstructure Assembled from a Mixed-Valence Host–Guest Complex

scientific article published on 17 July 2018

Monitoring Ultrafast Spin Crossover Intermediates in an Iron(II) Complex by Broad Band Stimulated X-ray Raman Spectroscopy

scientific article published on 06 August 2018

Multidimensional Attosecond Resonant X-Ray Spectroscopy of Molecules: Lessons from the Optical Regime ⬇️

scientific article published on December 10, 2012

Multiscale Modeling of Plasmon-Enhanced Power Conversion Efficiency in Nanostructured Solar Cells

scientific article published on 26 October 2015

Multiscale Study of Plasmonic Scattering and Light Trapping Effect in Silicon Nanowire Array Solar Cells.

scientific article published on 11 January 2017

Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

scientific article published on 10 February 2020

Non-adiabatic molecular dynamics of molecules in the presence of strong light-matter interactions

scientific article published on 01 October 2019

Nonadiabatic Excited-State Molecular Dynamics for Open-Shell Systems

scientific article published on 23 March 2020

Plasmonic Hot-Carrier-Mediated Tunable Photochemical Reactions

scientific article published on 18 July 2018

Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits

scientific article published in 2022

Quantum mechanical modeling the emission pattern and polarization of nanoscale light emitting diodes

scientific article published in June 2016

Quantum transport through an array of quantum dots

Quantum-Mechanical Prediction of Nanoscale Photovoltaics

Site-Specific Photodecomposition in Conjugated Energetic Materials

scientific article published on 13 July 2018

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

scientific article published on 28 August 2021

Stark control of electrons along nanojunctions.

scientific article

Stimulated X-Ray Emission Spectroscopy in Transition Metal Complexes.

scientific article published in March 2018

Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles

scientific article published on 6 October 2016

Supramolecular Gelation of Rigid Triangular Macrocycles through Rings of Multiple C-H···O Interactions Acting Cooperatively

scientific article published on 26 February 2016

Time-dependent density functional theory for quantum transport

Time-dependent quantum transport theory and its applications to graphene nanoribbons

Toward a QUBO-Based Density Matrix Electronic Structure Method

scientific article published on 03 June 2022

X-ray Raman optical activity of chiral molecules

scientific article published on 02 November 2018

X-ray circular dichroism signals: a unique probe of local molecular chirality.

scientific article published on 26 June 2017

π Donation and Its Effects on the Excited-State Lifetimes of Luminescent Platinum(II) Terpyridine Complexes in Solution ⬇️

scientific article published on July 24, 2013

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