Lista de obras -

A multiscale quantum mechanics/electromagnetics method for device simulations

artículo científico publicado en 2015

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

artículo científico publicado en 2015

Advantages of Conical Pores for Ion Pumps

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

artículo científico publicado en 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

artículo científico publicado en 2018

Conical Nanopores for Efficient Ion Pumping and Desalination

artículo científico publicado en 2017

Dissipative time-dependent quantum transport theory

artículo científico publicado en 2013

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

artículo científico publicado en 2015

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

artículo científico publicado en 2019

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.

artículo científico publicado en 2017

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

artículo científico publicado en 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?

artículo científico publicado en 2015

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

artículo científico publicado en 2018

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

artículo científico publicado en 2018

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

artículo científico publicado en 2015

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

artículo científico publicado en 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

artículo científico publicado en 2019

Nonadiabatic Excited-State Molecular Dynamics for Open-Shell Systems

artículo científico publicado en 2020

Plasmonic Hot-Carrier-Mediated Tunable Photochemical Reactions

artículo científico publicado en 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

artículo científico publicado en 2016

Quantum transport through an array of quantum dots

Quantum-Mechanical Prediction of Nanoscale Photovoltaics

Site-Specific Photodecomposition in Conjugated Energetic Materials

artículo científico publicado en 2018

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

artículo científico publicado en 2021

Stark control of electrons along nanojunctions.

artículo científico publicado en 2018

Stimulated X-Ray Emission Spectroscopy in Transition Metal Complexes.

artículo científico publicado en 2018

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

artículo científico publicado en 2016

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

artículo científico publicado en 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

artículo científico publicado en 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.

artículo científico publicado en 2017

Lista de obras de

A multiscale quantum mechanics/electromagnetics method for device simulations

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

Advantages of Conical Pores for Ion Pumps

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

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

Conical Nanopores for Efficient Ion Pumping and Desalination

Dissipative time-dependent quantum transport theory

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

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

First-principles time-dependent quantum transport theory

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.

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

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

Kinetic Master Equation Modeling of an Artificial Protein Pump

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

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

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

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

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

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

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

Nonadiabatic Excited-State Molecular Dynamics for Open-Shell Systems

Plasmonic Hot-Carrier-Mediated Tunable Photochemical Reactions

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

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

Quantum transport through an array of quantum dots

Quantum-Mechanical Prediction of Nanoscale Photovoltaics

Site-Specific Photodecomposition in Conjugated Energetic Materials

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

Stark control of electrons along nanojunctions.

Stimulated X-Ray Emission Spectroscopy in Transition Metal Complexes.

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

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

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

X-ray Raman optical activity of chiral molecules

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