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Yu Zhang
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Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials
TR Nelson, AJ White, JA Bjorgaard, AE Sifain, Y Zhang, B Nebgen, ...
Chemical reviews 120 (4), 2215-2287, 2020
3412020
Plasmonic hot-carrier-mediated tunable photochemical reactions
Y Zhang, T Nelson, S Tretiak, H Guo, GC Schatz
Acs Nano 12 (8), 8415-8422, 2018
872018
Fundamental limitations to plasmonic hot-carrier solar cells
Y Zhang, CY Yam, GC Schatz
The Journal of Physical Chemistry Letters 7 (10), 1852-1858, 2016
842016
Correlation-informed permutation of qubits for reducing ansatz depth in the variational quantum eigensolver
NV Tkachenko, J Sud, Y Zhang, S Tretiak, PM Anisimov, AT Arrasmith, ...
PRX Quantum 2 (2), 020337, 2021
792021
NEXMD software package for nonadiabatic excited state molecular dynamics simulations
W Malone, B Nebgen, A White, Y Zhang, H Song, JA Bjorgaard, AE Sifain, ...
Journal of Chemical Theory and Computation 16 (9), 5771-5783, 2020
772020
Interlayer-decoupled Sc-based MXene with high carrier mobility and strong light-harvesting ability
L Zhou, Y Zhang, Z Zhuo, AJ Neukirch, S Tretiak
The Journal of Physical Chemistry Letters 9 (23), 6915-6920, 2018
662018
First-principles time-dependent quantum transport theory
Y Zhang, S Chen, GH Chen
Physical Review B—Condensed Matter and Materials Physics 87 (8), 085110, 2013
662013
Mechanistic Insights into Photocatalyzed H2 Dissociation on Au Clusters
Q Wu, L Zhou, GC Schatz, Y Zhang, H Guo
Journal of the American Chemical Society 142 (30), 13090-13101, 2020
602020
Conical nanopores for efficient ion pumping and desalination
Y Zhang, GC Schatz
The journal of physical chemistry letters 8 (13), 2842-2848, 2017
582017
Variational quantum eigensolver with reduced circuit complexity
Y Zhang, L Cincio, CFA Negre, P Czarnik, PJ Coles, PM Anisimov, ...
npj Quantum Information 8 (1), 96, 2022
562022
Interference and Molecular Transport A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenes
SG Chen, Y Zhang, SK Koo, H Tian, CY Yam, GH Chen, MA Ratner
The Journal of Physical Chemistry Letters 5 (15), 2748-2752, 2014
462014
Stark control of electrons along nanojunctions
L Chen, Y Zhang, GH Chen, I Franco
Nature Communications 9 (1), 1-12, 2018
452018
Supramolecular double-helix formation by diastereoisomeric conformations of configurationally enantiomeric macrocycles
A Samanta, Z Liu, SKM Nalluri, Y Zhang, GC Schatz, JF Stoddart
Journal of the American Chemical Society 138 (43), 14469-14480, 2016
442016
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
A Asthana, A Kumar, V Abraham, H Grimsley, Y Zhang, L Cincio, S Tretiak, ...
Chemical Science 14 (9), 2405-2418, 2023
392023
Quantum-mechanical prediction of nanoscale photovoltaics
Y Zhang, LY Meng, CY Yam, GH Chen
The journal of physical chemistry letters 5 (7), 1272-1277, 2014
392014
Quantum simulation of molecular electronic states with a transcorrelated Hamiltonian: higher accuracy with fewer qubits
A Kumar, A Asthana, C Masteran, EF Valeev, Y Zhang, L Cincio, S Tretiak, ...
Journal of Chemical Theory and Computation 18 (9), 5312-5324, 2022
37*2022
Supramolecular Gelation of Rigid Triangular Macrocycles through Rings of Multiple C–H··· O Interactions Acting Cooperatively
Z Liu, J Sun, Y Zhou, Y Zhang, Y Wu, SKM Nalluri, Y Wang, A Samanta, ...
The Journal of organic chemistry 81 (6), 2581-2588, 2016
342016
Non-adiabatic molecular dynamics of molecules in the presence of strong light-matter interactions
Y Zhang, T Nelson, S Tretiak
The Journal of Chemical Physics 151 (15), 2019
332019
A multiscale quantum mechanics/electromagnetics method for device simulations
CY Yam, L Meng, Y Zhang, GH Chen
Chemical Society Reviews 44 (7), 1763-1776, 2015
322015
Advantages of conical pores for ion pumps
Y Zhang, GC Schatz
The Journal of Physical Chemistry C 121 (1), 161-168, 2017
312017
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Articles 1–20