Personal information

quantum transport, plasmonics, charge and energy transfer, ion pump

Activities

Employment (4)

Los Alamos National Laboratory: Los Alamos, NM, US

2019-10-22 to present | Staff Scientist (Theoretical Division)
Employment
Source: Self-asserted source
Yu Zhang

Los Alamos National Laboratory: Los Alamos, NM, US

2018-01-02 to 2019-10-21 | Director's Postdoc Fellow (Theoretical Division)
Employment
Source: Self-asserted source
Yu Zhang

Northwestern University: Evanston, IL, US

2015-01-01 to 2017-12-31 | Postdoctoral Fellow (Chemistry & Center for Bio-inspired Energy Science)
Employment
Source: Self-asserted source
Yu Zhang

University of Hong Kong: Hong Kong, HK, CN

2014-09-01 to 2014-12-31 | Research Assistant (Chemistry)
Employment
Source: Self-asserted source
Yu Zhang

Education and qualifications (2)

University of Hong Kong: Hong Kong, HK SAR, CN

2010-09-01 to 2014-08-31 | Ph.D. (Chemical Physics)
Education
Source: Self-asserted source
Yu Zhang

Sun Yat-Sen University: Guangzhou, Guangdong, CN

2006-09-01 to 2010-06-30 | B.Sc. (Physics)
Education
Source: Self-asserted source
Yu Zhang

Works (50 of 57)

Items per page:
Page 1 of 2

Towards a Theoretical Understanding of Excitonic Properties of Pthalocyanine Thin Films. I. Low-Temperature Exciton Absorption Spectra

2025-01-29 | Preprint
Contributors: Sanghita Sengupta; Zheng Pei; Chance Lander; Yu Zhang; Madalina Furis; Yihan Shao
Source: check_circle
Crossref

Machine learning accelerated non-adiabatic molecular dynamics for exciton polaritons

2024-08-19 | Conference paper
Contributors: Xinyang Li; Nicholas Lubbers; Sergei Tretiak; Kipton Barros; Yu Zhang
Source: check_circle
Crossref

Quantum Davidson algorithm for excited states

Quantum Science and Technology
2024-07-01 | Journal article
Contributors: Nikolay V Tkachenko; Lukasz Cincio; Alexander I Boldyrev; Sergei Tretiak; Pavel A Dub; Yu Zhang
Source: check_circle
Crossref

Hybrid programming-model strategies for GPU offloading of electronic structure calculation kernels

The Journal of Chemical Physics
2024-03-28 | Journal article
Contributors: Jean-Luc Fattebert; Christian F. A. Negre; Joshua Finkelstein; Jamaludin Mohd-Yusof; Daniel Osei-Kuffuor; Michael E. Wall; Yu Zhang; Nicolas Bock; Susan M. Mniszewski
Source: check_circle
Crossref

Diffusion quantum Monte Carlo approach to the polaritonic ground state

Physical Review A
2024-03-04 | Journal article
Contributors: Braden M. Weight; Sergei Tretiak; Yu Zhang
Source: check_circle
Crossref

Machine Learning Framework for Modeling Exciton Polaritons in Molecular Materials

Journal of Chemical Theory and Computation
2024-01-23 | Journal article
Contributors: Xinyang Li; Nicholas Lubbers; Sergei Tretiak; Kipton Barros; Yu Zhang
Source: check_circle
Crossref

Molecular dynamics study of plasmon-mediated chemical transformations

Chemical Science
2023 | Journal article
Contributors: Xiaoyan Wu; Tammo van der Heide; Shizheng Wen; Thomas Frauenheim; Sergei Tretiak; ChiYung Yam; Yu Zhang
Source: check_circle
Crossref

Theory and modeling of light-matter interactions in chemistry: current and future

Physical Chemistry Chemical Physics
2023 | Journal article
Contributors: Braden M. Weight; Xinyang Li; Yu Zhang
Source: check_circle
Crossref

Quantum Simulation of Molecular Response Properties in the NISQ Era

Journal of Chemical Theory and Computation
2023-12-26 | Journal article
Contributors: Ashutosh Kumar; Ayush Asthana; Vibin Abraham; T. Daniel Crawford; Nicholas J. Mayhall; Yu Zhang; Lukasz Cincio; Sergei Tretiak; Pavel A. Dub
Source: check_circle
Crossref

Plasmon mediated coherent population oscillations in molecular aggregates

Nature Communications
2023-12-05 | Journal article
Contributors: Daniel Timmer; Moritz Gittinger; Thomas Quenzel; Sven Stephan; Yu Zhang; Marvin F. Schumacher; Arne Lützen; Martin Silies; Sergei Tretiak; Jin-Hui Zhong et al.
Source: check_circle
Crossref

Shadow Molecular Dynamics and Atomic Cluster Expansions for Flexible Charge Models

Journal of Chemical Theory and Computation
2023-07-11 | Journal article
Contributors: James Goff; Yu Zhang; Christian Negre; Andrew Rohskopf; Anders M. N. Niklasson
Source: check_circle
Crossref

Spatial Signatures of Biological Soil Crusts and Community Level Self-Organization in Drylands

2023-03-24 | Preprint
Contributors: Daniel Kozar; Bettina Weber; Yu Zhang; Xiaoli Dong
Source: check_circle
Crossref

Investigation of plasmon relaxation mechanisms using nonadiabatic molecular dynamics

The Journal of Chemical Physics
2022-12-07 | Journal article
Contributors: Xiaoyan Wu; Baopi Liu; Thomas Frauenheim; Sergei Tretiak; ChiYung Yam; Yu Zhang
Source: check_circle
Crossref

Charge Delocalization and Vibronic Couplings in Quadrupolar Squaraine Dyes

Journal of the American Chemical Society
2022-10-19 | Journal article
Contributors: Daniel Timmer; Fulu Zheng; Moritz Gittinger; Thomas Quenzel; Daniel C. Lünemann; Katrin Winte; Yu Zhang; Mohamed E. Madjet; Jennifer Zablocki; Arne Lützen et al.
Source: check_circle
Crossref

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

Journal of Chemical Theory and Computation
2022-09-13 | Journal article
Contributors: Ashutosh Kumar; Ayush Asthana; Conner Masteran; Edward F. Valeev; Yu Zhang; Lukasz Cincio; Sergei Tretiak; Pavel A. Dub
Source: check_circle
Crossref

Nonadiabatic molecular dynamics simulations based on time-dependent density functional tight-binding method

The Journal of Chemical Physics
2022-08-28 | Journal article
Contributors: Xiaoyan Wu; Shizheng Wen; Huajing Song; Thomas Frauenheim; Sergei Tretiak; ChiYung Yam; Yu Zhang
Source: check_circle
Crossref

Variational quantum eigensolver with reduced circuit complexity

npj Quantum Information
2022-08-12 | Journal article
Contributors: Yu Zhang; Lukasz Cincio; Christian F. A. Negre; Piotr Czarnik; Patrick J. Coles; Petr M. Anisimov; Susan M. Mniszewski; Sergei Tretiak; Pavel A. Dub
Source: check_circle
Crossref

Toward a QUBO-Based Density Matrix Electronic Structure Method

Journal of Chemical Theory and Computation
2022-07-12 | Journal article
Contributors: Christian F. A. Negre; Alejandro Lopez-Bezanilla; Yu Zhang; Prosper D. Akrobotu; Susan M. Mniszewski; Sergei Tretiak; Pavel A. Dub
Source: check_circle
Crossref

Theory of Plasmonic Hot-Carrier Generation and Relaxation

The Journal of Physical Chemistry A
2021-10-21 | Journal article
Contributors: Yu Zhang
Source: check_circle
Crossref

Correlation-Informed Permutation of Qubits for Reducing Ansatz Depth in the Variational Quantum Eigensolver

PRX Quantum
2021-06-09 | Journal article
Contributors: Nikolay V. Tkachenko; James Sud; Yu Zhang; Sergei Tretiak; Petr M. Anisimov; Andrew T. Arrasmith; Patrick J. Coles; Lukasz Cincio; Pavel A. Dub
Source: check_circle
Crossref

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

Journal of Chemical Theory and Computation
2021-06-08 | Journal article
Contributors: Huajing Song; Victor M. Freixas; Sebastian Fernandez-Alberti; Alexander J. White; Yu Zhang; Shaul Mukamel; Niranjan Govind; Sergei Tretiak
Source: check_circle
Crossref

Investigating Single-Molecule Fluorescence Spectral Heterogeneity of Rhodamines Using High-Throughput Single-Molecule Spectroscopy

The Journal of Physical Chemistry Letters
2021-04-29 | Journal article
Contributors: Yang Zhang; Yu Zhang; Ki-Hee Song; Wei Lin; Cheng Sun; George C. Schatz; Hao F. Zhang
Source: check_circle
Crossref

First Principles Nonadiabatic Excited-State Molecular Dynamics in NWChem

Journal of Chemical Theory and Computation
2020-10-13 | Journal article
Contributors: Huajing Song; Sean A. Fischer; Yu Zhang; Christopher J. Cramer; Shaul Mukamel; Niranjan Govind; Sergei Tretiak
Source: check_circle
Crossref

NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

Journal of Chemical Theory and Computation
2020-09-08 | Journal article
Contributors: Walter Malone; Benjamin Nebgen; Alexander White; Yu Zhang; Huajing Song; Josiah A. Bjorgaard; Andrew E. Sifain; Beatriz Rodriguez-Hernandez; Victor M. Freixas; Sebastian Fernandez-Alberti et al.
Source: check_circle
Crossref

Mechanistic Insights into Photocatalyzed H2 Dissociation on Au Clusters

Journal of the American Chemical Society
2020-07-29 | Journal article
Contributors: Qisheng Wu; Linsen Zhou; George C. Schatz; Yu Zhang; Hua Guo
Source: check_circle
Crossref

Nonadiabatic Excited-State Molecular Dynamics for Open-Shell Systems

Journal of Chemical Theory and Computation
2020-04-14 | Journal article
Contributors: Yu Zhang; Linqiu Li; Sergei Tretiak; Tammie Nelson
Source: check_circle
Crossref

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

Chemical Reviews
2020-02-26 | Journal article
Contributors: Tammie R. Nelson; Alexander J. White; Josiah A. Bjorgaard; Andrew E. Sifain; Yu Zhang; Benjamin Nebgen; Sebastian Fernandez-Alberti; Dmitry Mozyrsky; Adrian E. Roitberg; Sergei Tretiak
Source: check_circle
Crossref

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

The Journal of Chemical Physics
2019-10-21 | Journal article
Contributors: Yu Zhang; Tammie Nelson; Sergei Tretiak
Source: check_circle
Crossref

Preferred states of open electronic systems

Physics Letters A
2019-08 | Journal article
Contributors: HaoXiang Jiang; Yu Zhang
Source: check_circle
Crossref

Controllable Single-Molecule Light Emission by Selective Charge Injection in Scanning Tunneling Microscopy

The Journal of Physical Chemistry C
2019-06-27 | Journal article
Contributors: Xiaoyan Wu; Rulin Wang; Yu Zhang; Bowen Song; ChiYung Yam
Source: check_circle
Crossref

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

The Journal of Physical Chemistry Letters
2018-12-06 | Journal article
Contributors: Liujiang Zhou; Yu Zhang; Zhiwen Zhuo; Amanda J. Neukirch; Sergei Tretiak
Source: check_circle
Crossref

Plasmonic Hot-Carrier-Mediated Tunable Photochemical Reactions

ACS Nano
2018-08-28 | Journal article
Contributors: Yu Zhang; Tammie Nelson; Sergei Tretiak; Hua Guo; George C. Schatz
Source: check_circle
Crossref

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

Journal of the American Chemical Society
2018-08-01 | Journal article
Contributors: Zhichang Liu; Marco Frasconi; Wei-Guang Liu; Yu Zhang; Scott M. Dyar; Dengke Shen; Amy A. Sarjeant; William A. Goddard, III; Michael R. Wasielewski; J. Fraser Stoddart
Source: check_circle
Crossref

Site-Specific Photodecomposition in Conjugated Energetic Materials

The Journal of Physical Chemistry A
2018-07-26 | Journal article
Contributors: Levi Lystrom; Yu Zhang; Sergei Tretiak; Tammie Nelson
Source: check_circle
Crossref

Stark control of electrons along nanojunctions

Nature Communications
2018-05-25 | Journal article
Contributors: Liping Chen; Yu Zhang; GuanHua Chen; Ignacio Franco
Source: check_circle
Crossref

Conical Nanopores for Efficient Ion Pumping and Desalination

The Journal of Physical Chemistry Letters
2017-07-06 | Journal article
Contributors: Yu Zhang; George C. Schatz
Source: check_circle
Crossref

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

The Journal of Physical Chemistry Letters
2017-02-02 | Journal article
Contributors: Lingyi Meng; Yu Zhang; ChiYung Yam
Source: check_circle
Crossref

Advantages of Conical Pores for Ion Pumps

The Journal of Physical Chemistry C
2017-01-12 | Journal article
Contributors: Yu Zhang; George C. Schatz
Source: check_circle
Crossref

Fundamental Limitations to Plasmonic Hot-Carrier Solar Cells

The Journal of Physical Chemistry Letters
2016 | Journal article
ARXIV:

http://dx.doi.org/10.1021/acs.jpclett.6b00879

Source: Self-asserted source
Yu Zhang

Kinetic Master Equation Modeling of an Artificial Protein Pump

The Journal of Physical Chemistry C
2016 | Journal article
ARXIV:

http://dx.doi.org/10.1021/acs.jpcc.6b03076

Source: Self-asserted source
Yu Zhang

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

Nanoscale
2016 | Journal article
Source: Self-asserted source
Yu Zhang

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

Journal of the American Chemical Society
2016 | Journal article
ARXIV:

http://dx.doi.org/10.1021/jacs.6b09258

Source: Self-asserted source
Yu Zhang

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

The Journal of Organic Chemistry
2016 | Journal article
ARXIV:

http://dx.doi.org/10.1021/acs.joc.6b00281

Source: Self-asserted source
Yu Zhang

A multiscale quantum mechanics/electromagnetics method for device simulations

Chemical Society reviews
2015 | Journal article
DOI:

10.1039/c4cs00348a

WOSUID:

MEDLINE:25611987

Contributors: Yam, ChiYung; Meng, Lingyi; Zhang, Yu; Chen, GuanHua
Source: Self-asserted source
Yu Zhang via ResearcherID
grade
Preferred source (of 2)‎

An approximate framework for quantum transport calculation with model order reduction

Journal of Computational Physics
2015 | Journal article
DOI:

10.1016/j.jcp.2015.01.032

WOSUID:

WOS:000349600600004

Contributors: Chen, Q.; Li, J.; Yam, C. Y.; Zhang, Y.; Wong, N.; Chen, G. H.
Source: Self-asserted source
Yu Zhang via ResearcherID

Light-Driven Ca2+ Ion Pump: How Does It Work?

The Journal of Physical Chemistry B
2015 | Journal article
ARXIV:

http://dx.doi.org/10.1021/acs.jpcb.5b07578

Source: Self-asserted source
Yu Zhang

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

The Journal of Physical Chemistry Letters
2015 | Journal article
ARXIV:

http://dx.doi.org/10.1021/acs.jpclett.5b01913

Source: Self-asserted source
Yu Zhang

Quantum Mechanical Modeling of Electron-Photon Interactions in Nanoscale Devices

Progress In Electromagnetics Research
2015 | Journal article
Source: Self-asserted source
Yu Zhang

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

The Journal of Chemical Physics
2015-09-14 | Journal article
Contributors: Yu Zhang; ChiYung Yam; YanHo Kwok; GuanHua Chen
Source: check_circle
Crossref

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

The Journal of Chemical Physics
2015-04-28 | Journal article
Contributors: Yu Zhang; ChiYung Yam; GuanHua Chen
Source: check_circle
Crossref
Items per page:
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Peer review (95 reviews for 32 publications/grants)

Review activity for ACS applied materials & interfaces. (3)
Review activity for ACS applied materials & interfaces. (2)
Review activity for ACS energy letters. (1)
Review activity for ACS photonics. (6)
Review activity for Advanced functional materials. (3)
Review activity for Advanced materials. (2)
Review activity for Advanced optical materials (5)
Review activity for Applied physics letters. (1)
Review activity for Chemical science. (3)
Review activity for Chemistry of materials. (2)
Review activity for Communications physics. (2)
Review activity for IEEE journal on multiscale and multiphysics computational techniques. (2)
Review activity for International journal of quantum chemistry. (1)
Review activity for Joule. (3)
Review activity for Journal of applied physics. (1)
Review activity for Journal of chemical information and modeling. (1)
Review activity for Journal of chemical physics. (6)
Review activity for Journal of physical chemistry. (5)
Review activity for Journal of the American Chemical Society. (2)
Review activity for Molecular physics. (1)
Review activity for Nano letters. (2)
Review activity for Nano letters. (2)
Review activity for Nanoscale. (3)
Review activity for New journal of chemistry. (2)
Review activity for Physical chemistry chemical physics. (2)
Review activity for Physical review applied. (5)
Review activity for Physical review letters. (3)
Review activity for Physical review. (1)
Review activity for The journal of physical chemistry letters. (3)
Review activity for The journal of physical chemistry. (9)
Review activity for The journal of physical chemistry. (10)
Review activity for Wiley interdisciplinary reviews. (1)