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Solving quasiparticle band spectra of real solids using neural-network quantum states

Communications physics, 2021-05, Vol.4 (1), p.1-8, Article 106

2021

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Theory of analytical energy derivatives for the variational quantum eigensolver

Physical review research, 2020-02, Vol.2 (1), Article 013129

2020

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Relativistic Internally Contracted Multireference Electron Correlation Methods

Journal of chemical theory and computation, 2015-10, Vol.11 (10), p.4733-4739

2015

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Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications

International journal of quantum chemistry, 2015-03, Vol.115 (5), p.283-299

2015

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A second-order multi-reference perturbation method for molecular vibrations

The Journal of chemical physics, 2013-11, Vol.139 (19), p.194108-194108

2013

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Orbital optimized unitary coupled cluster theory for quantum computer

Physical review research, 2020-09, Vol.2 (3), Article 033421

2020

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A compact and accurate semi-global potential energy surface for malonaldehyde from constrained least squares regression

The Journal of chemical physics, 2014-10, Vol.141 (14), p.144310-144310

2014

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Deep Variational Quantum Eigensolver: A Divide-And-Conquer Method for Solving a Larger Problem with Smaller Size Quantum Computers

PRX quantum, 2022-03, Vol.3 (1), p.010346, Article 010346

2022

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Analytical Energy Gradient for State-Averaged Orbital-Optimized Variational Quantum Eigensolvers and Its Application to a Photochemical Reaction

Journal of chemical theory and computation, 2022-02, Vol.18 (2), p.741-748

2022

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Variational quantum simulation for periodic materials

Physical review research, 2022-01, Vol.4 (1), Article 013052

2022

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Hybrid quantum-classical algorithm for computing imaginary-time correlation functions

Physical review research, 2022-06, Vol.4 (2), Article 023219

2022

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Microscopic Hopping Mechanism of an Isolated PTCDA Molecule on a Reactive Ge(001) Surface

Journal of physical chemistry. C, 2020-11, Vol.124 (45), p.24704-24712

2020

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Perturbation theory with quantum signal processing

Quantum (Vienna, Austria), 2023-05, Vol.7, p.1000, Article 1000

2023

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Synthesis of Monodispersedly Sized ZnO Nanowires from Randomly Sized Seeds

Nano letters, 2020-01, Vol.20 (1), p.599-605

2020

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Hunting for quantum-classical crossover in condensed matter problems

npj quantum information, 2024-04, Vol.10 (1), p.45-10, Article 45

2024

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Mechanisms for Two-Step Proton Transfer Reactions in the Outward-Facing Form of MATE Transporter

Biophysical journal, 2016-03, Vol.110 (6), p.1346-1354

2016

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Universal noise-precision relations in variational quantum algorithms

Physical review research, 2023-04, Vol.5 (2), Article 023025

2023

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Rational Method of Monitoring Molecular Transformations on Metal-Oxide Nanowire Surfaces

Nano letters, 2019-04, Vol.19 (4), p.2443-2449

2019

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Unveiling the Amphiphilic Nature of TMAO by Vibrational Sum Frequency Generation Spectroscopy

Journal of physical chemistry. C, 2016-08, Vol.120 (31), p.17435-17443

2016

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Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2017-03, Vol.19 (1), p.699-692

2017

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Selective Detection of Toluene Using Pulse-Driven SnO2 Micro Gas Sensors

ACS applied electronic materials, 2020-09, Vol.2 (9), p.2913-2920

2020

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Double-Step Modulation of the Pulse-Driven Mode for a High-Performance SnO2 Micro Gas Sensor: Designing the Particle Surface via a Rapid Preheating Process

ACS sensors, 2020-11, Vol.5 (11), p.3449-3456

2020

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Quantum expectation-value estimation by computational basis sampling

Physical review research, 2022-09, Vol.4 (3), Article 033173

2022

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Quadratic Clifford expansion for efficient benchmarking and initialization of variational quantum algorithms

Physical review research, 2022-07, Vol.4 (3), Article 033012

2022

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Quantifying fermionic nonlinearity of quantum circuits

Physical review research, 2022-11, Vol.4 (4), Article 043100

2022

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Solving quasiparticle band spectra of real solids using neural-network quantum states

Theory of analytical energy derivatives for the variational quantum eigensolver

Relativistic Internally Contracted Multireference Electron Correlation Methods

Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications

A second-order multi-reference perturbation method for molecular vibrations

Orbital optimized unitary coupled cluster theory for quantum computer

A compact and accurate semi-global potential energy surface for malonaldehyde from constrained least squares regression

Deep Variational Quantum Eigensolver: A Divide-And-Conquer Method for Solving a Larger Problem with Smaller Size Quantum Computers

Analytical Energy Gradient for State-Averaged Orbital-Optimized Variational Quantum Eigensolvers and Its Application to a Photochemical Reaction

Variational quantum simulation for periodic materials

Hybrid quantum-classical algorithm for computing imaginary-time correlation functions

Microscopic Hopping Mechanism of an Isolated PTCDA Molecule on a Reactive Ge(001) Surface

Perturbation theory with quantum signal processing

Synthesis of Monodispersedly Sized ZnO Nanowires from Randomly Sized Seeds

Hunting for quantum-classical crossover in condensed matter problems

Mechanisms for Two-Step Proton Transfer Reactions in the Outward-Facing Form of MATE Transporter

Universal noise-precision relations in variational quantum algorithms

Rational Method of Monitoring Molecular Transformations on Metal-Oxide Nanowire Surfaces

Unveiling the Amphiphilic Nature of TMAO by Vibrational Sum Frequency Generation Spectroscopy

Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations

Selective Detection of Toluene Using Pulse-Driven SnO2 Micro Gas Sensors

Double-Step Modulation of the Pulse-Driven Mode for a High-Performance SnO2 Micro Gas Sensor: Designing the Particle Surface via a Rapid Preheating Process

Quantum expectation-value estimation by computational basis sampling

Quadratic Clifford expansion for efficient benchmarking and initialization of variational quantum algorithms

Quantifying fermionic nonlinearity of quantum circuits

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