A quantum chemistry study of the first singlet(S_(1))and triplet(T_(1))excited states of phenylsulfonyl-carbazole compounds,proposed as useful thermally activated delayed fluorescence(TADF)emitters for organic light e...A quantum chemistry study of the first singlet(S_(1))and triplet(T_(1))excited states of phenylsulfonyl-carbazole compounds,proposed as useful thermally activated delayed fluorescence(TADF)emitters for organic light emitting diode(OLED)applications,was performed with the quantum Equation-Of-Motion Variational Quantum Eigensolver(qEOM-VQE)and Variational Quantum Deflation(VQD)algorithms on quantum simulators and devices.These quantum simulations were performed with double zeta quality basis sets on an active space comprising the highest occupied and lowest unoccupied molecular orbitals(HOMO,LUMO)of the TADF molecules.The differences in energy separations between S_(1) and T_(1)(ΔEST)predicted by calculations on quantum simulators were found to be in excellent agreement with experimental data.Differences of 17 and 88 mHa with respect to exact energies were found for excited states by using the qEOM-VQE and VQD algorithms,respectively,to perform simulations on quantum devices without error mitigation.By utilizing state tomography to purify the quantum states and correct energy values,the large errors found for unmitigated results could be improved to differences of,at most,4 mHa with respect to exact values.Consequently,excellent agreement could be found between values ofΔEST predicted by quantum simulations and those found in experiments.展开更多
On-chip optical nonreciprocal devices are vital components for integrated photonic systems and scalable quantum information processing.Nonlinear optical isolators and circulators have attracted considerable attention ...On-chip optical nonreciprocal devices are vital components for integrated photonic systems and scalable quantum information processing.Nonlinear optical isolators and circulators have attracted considerable attention because of their fundamental interest and their important advantages in integrated photonic circuits.However,optical nonreciprocal devices based on Kerr or Kerr-like nonlinearity are subject to dynamical reciprocity when the forward and backward signals coexist simultaneously in a nonlinear system.Here,we theoretically propose a method for realizing on-chip nonlinear isolators and circulators with dynamic nonreciprocity.Dynamic nonreciprocity is achieved via the chiral modulation on the resonance frequency due to coexisting self-and cross-Kerr nonlinearities in an optical ring resonator.This work showing dynamic nonreciprocity with a Kerr nonlinear resonator can be an essential step toward integrated optical isolation.展开更多
The use of computational intelligence has become commonplace for accurate wind speed and energy forecasting,however the energy-intensive processes involved in training and tuning stands as a critical issue for the sus...The use of computational intelligence has become commonplace for accurate wind speed and energy forecasting,however the energy-intensive processes involved in training and tuning stands as a critical issue for the sustainability of AI models.Quantum computing emerges as a key player in addressing this concern,offering a quantum advantage that could potentially accelerate computations or,more significantly,reduce energy consumption.It is a matter of debate if purely quantum machine learning models,as they currently stand,are capable of competing with the classical state of the art on relevant problems.We investigate the efficacy of quantum neural networks(QNNs)for wind speed nowcasting,comparing them to a baseline Multilayer Perceptron(MLP).Utilizing meteorological data from Bahia,Brazil,we develop a QNN tailored for up to six hours ahead wind speed prediction.Our analysis reveals that the QNN demonstrates competitive performance compared to MLP.We evaluate models using RMSE,Pearson’s R,and Factor of 2 metrics,emphasizing QNNs’promising generalization capabilities and robustness across various wind prediction scenarios.This study is a seminal work on the potential of QNNs in advancing renewable energy forecasting,advocating for further exploration of quantum machine learning in sustainable energy research.展开更多
Quantum computers have made extraordinary progress over the past decade,and significant milestones have been achieved along the path of pursuing universal fault-tolerant quantum computers.Quantum advantage,the tipping...Quantum computers have made extraordinary progress over the past decade,and significant milestones have been achieved along the path of pursuing universal fault-tolerant quantum computers.Quantum advantage,the tipping point heralding the quantum era,has been accomplished along with several waves of breakthroughs.Quantum hardware has become more integrated and architectural compared to its toddler days.The controlling precision of various physical systems is pushed beyond the fault-tolerant threshold.Meanwhile,quantum computation research has established a new norm by embracing industrialization and commercialization.The joint power of governments,private investors,and tech companies has significantly shaped a new vibrant environment that accelerates the development of this field,now at the beginning of the noisy intermediate-scale quantum era.Here,we first discuss the progress achieved in the field of quantum computation by reviewing the most important algorithms and advances in the most promising technical routes,and then summarizing the next-stage challenges.Furthermore,we illustrate our confidence that solid foundations have been built for the fault-tolerant quantum computer and our optimism that the emergence of quantum killer applications essential for human society shall happen in the future.展开更多
Quantum magnonics has recently attracted considerable interest not only in fundamental physics but also in applications,ranging from quantum information processing to quantum metrology[1].A unique merit of magnons,the...Quantum magnonics has recently attracted considerable interest not only in fundamental physics but also in applications,ranging from quantum information processing to quantum metrology[1].A unique merit of magnons,the quasiparticles or quantized unit of magnetic excitations in solids,is their ability to be effectively coupled with almost all different quantum information carriers,such as optical photons,mechanical phonons,superconducting qubits,and solid-state spins,which are otherwise difficult to be efficiently integrated together.展开更多
The ground and excited state calculations at key geometries, such as the Frank–Condon (FC) and the conical intersection (CI)geometries, are essential for understanding photophysical properties. To compute these geome...The ground and excited state calculations at key geometries, such as the Frank–Condon (FC) and the conical intersection (CI)geometries, are essential for understanding photophysical properties. To compute these geometries on noisy intermediate-scalequantum devices, we proposed a strategy that combined a chemistry-inspired spin-restricted ansatz and a new excited statecalculation method called the variational quantum eigensolver under automatically-adjusted constraints (VQE/AC). Unlike theconventional excited state calculation method, called the variational quantum deflation, the VQE/AC does not require the pre-determination of constraint weights and has the potential to describe smooth potential energy surfaces. To validate this strategy,we performed the excited state calculations at the FC and CI geometries of ethylene and phenol blue at the complete active spaceself-consistent field (CASSCF) level of theory, and found that the energy errors were at most 2 kcal mol−1 even on the ibm_kawasakidevice.展开更多
基金Q.G.,M.S.,H.C.W.,E.W.,Y.O.,H.N.and N.Y.acknowledge support from MEXT Quantum Leap Flagship Program Grant Number JP-MXS0118067285 and JP-MXS0120319794。
文摘A quantum chemistry study of the first singlet(S_(1))and triplet(T_(1))excited states of phenylsulfonyl-carbazole compounds,proposed as useful thermally activated delayed fluorescence(TADF)emitters for organic light emitting diode(OLED)applications,was performed with the quantum Equation-Of-Motion Variational Quantum Eigensolver(qEOM-VQE)and Variational Quantum Deflation(VQD)algorithms on quantum simulators and devices.These quantum simulations were performed with double zeta quality basis sets on an active space comprising the highest occupied and lowest unoccupied molecular orbitals(HOMO,LUMO)of the TADF molecules.The differences in energy separations between S_(1) and T_(1)(ΔEST)predicted by calculations on quantum simulators were found to be in excellent agreement with experimental data.Differences of 17 and 88 mHa with respect to exact energies were found for excited states by using the qEOM-VQE and VQD algorithms,respectively,to perform simulations on quantum devices without error mitigation.By utilizing state tomography to purify the quantum states and correct energy values,the large errors found for unmitigated results could be improved to differences of,at most,4 mHa with respect to exact values.Consequently,excellent agreement could be found between values ofΔEST predicted by quantum simulations and those found in experiments.
基金supported by the National Key R&D Program of China(Grant Nos.2017YFA0303703 and 2019YFA0308700)the National Natural Science Foundation of China(Grant Nos.11874212,11890704,and 11690031)+7 种基金the Fundamental Research Funds for the Central Universities(Grant No.021314380095)the Program for Innovative Talents and Entrepreneurs in Jiangsuthe Excellent Research Program of Nanjing University(Grant No.ZYJH002)supported in part by Nippon Telegraph and Telephone Corporation(NTT)Research,the Japan Science and Technology Agency(JST)(via the Quantum Leap Flagship Program(Q-LEAP),and the Moonshot R&D under Grant No.JPMJMS2061)the Japan Society for the Promotion of Science(JSPS)(via the Grants-in-Aid for Scientific Research(KAKENHI)Grant No.JP20H00134)the Army Research Office(ARO)(Grant No.W911NF-181-0358)the Asian Office of Aerospace Research and Development(AOARD)(Grant No.FA2386-20-1-4069)the Foundational Questions Institute Fund(FQXi)(Grant No.FQXi-IAF19-06)。
文摘On-chip optical nonreciprocal devices are vital components for integrated photonic systems and scalable quantum information processing.Nonlinear optical isolators and circulators have attracted considerable attention because of their fundamental interest and their important advantages in integrated photonic circuits.However,optical nonreciprocal devices based on Kerr or Kerr-like nonlinearity are subject to dynamical reciprocity when the forward and backward signals coexist simultaneously in a nonlinear system.Here,we theoretically propose a method for realizing on-chip nonlinear isolators and circulators with dynamic nonreciprocity.Dynamic nonreciprocity is achieved via the chiral modulation on the resonance frequency due to coexisting self-and cross-Kerr nonlinearities in an optical ring resonator.This work showing dynamic nonreciprocity with a Kerr nonlinear resonator can be an essential step toward integrated optical isolation.
基金partially funded by the project“Master’s and PhD in Quantum Technologies-QIN-FCRH-2025-5-1-1”in supported by QuIIN-Quantum Industrial Innovation,EMBRAPII CIMATEC Com-petence Center in Quantum Technologiesfinancial resources from the PPI IoT/Manufatura 4.0 of the MCTI grant number 053/2023,signed with EMBRAPII+1 种基金National Council for Scientific and Technological Development(CNPq,Brazil),for partially funding this work.Erick G.Sperandio Nascimento is a CNPq techno-logical development fellow(Proc.308963/2022-9)the Surrey Institute for People-Centred AI at the University of Surrey(UK)for their institutional support.
文摘The use of computational intelligence has become commonplace for accurate wind speed and energy forecasting,however the energy-intensive processes involved in training and tuning stands as a critical issue for the sustainability of AI models.Quantum computing emerges as a key player in addressing this concern,offering a quantum advantage that could potentially accelerate computations or,more significantly,reduce energy consumption.It is a matter of debate if purely quantum machine learning models,as they currently stand,are capable of competing with the classical state of the art on relevant problems.We investigate the efficacy of quantum neural networks(QNNs)for wind speed nowcasting,comparing them to a baseline Multilayer Perceptron(MLP).Utilizing meteorological data from Bahia,Brazil,we develop a QNN tailored for up to six hours ahead wind speed prediction.Our analysis reveals that the QNN demonstrates competitive performance compared to MLP.We evaluate models using RMSE,Pearson’s R,and Factor of 2 metrics,emphasizing QNNs’promising generalization capabilities and robustness across various wind prediction scenarios.This study is a seminal work on the potential of QNNs in advancing renewable energy forecasting,advocating for further exploration of quantum machine learning in sustainable energy research.
基金This work was supported by the National Natural Science Foundation of China(Grant Nos.U1801661,12174178,11905098,12204228,12004165,11875159,12075110,92065111,12275117,11905099,11975117,12004164,62174076,92165210,11904157,11661161018,11927811,and 12004371)the National Key Research and Development Program of China(Grant Nos.2019YFA0308100 and 2018YFA0306600)+15 种基金the Key-Area Research and Development Program of Guangdong Province(No.2018B030326001)the Guangdong Innovative and Entrepreneurial Research Team Program(Nos.2016ZT06D348 and 2019ZT08C044)the Guangdong Provincial Key Laboratory(No.2019B121203002)the Guangdong Basic and Applied Basic Research Foundation(Grant Nos.2021B1515020070 and 2022B1515020074)the Natural Science Foundation of Guangdong Province(No.2017B030308003)the Science,Technology and Innovation Commission of Shenzhen,Municipality(Grant Nos.KYTDPT20181011104202253,KQTD20210811090049034,K21547502,ZDSYS20190902092905285,KQTD20190929173815000,KQTD20200820113010023,JCYJ20200109140803865 and JCYJ20170412152620376)Shenzhen Science and Technology Program(Nos.RCBS20200714114820298 and RCYX20200714114522109)the Shenzhen-Hong Kong Cooperation Zone for Technology and Innovation(HZQB-KCZYB-2020050)the Anhui Initiative in Quantum Information Technologies(Grant No.AHY050000)the Innovation Program for Quantum Science and Technology(Grant No.2021ZD0303205)Research Grants Council of Hong Kong(GRF No.14308019)the Research Strategic Funding Scheme of The Chinese University of Hong Kong(No.3133234)F.N.is supported in part by:Nippon Telegraph and Telephone Corporation(NTT)Research,the Japan Science and Technology Agency(JST)[via the Quantum Leap Flagship Program(Q-LEAP),and the Moonshot R&D Grant Number JPMJMS2061]the Japan Society for the Promotion of Science(JSPS)[via the Grants-in-Aid for Scientific Research(KAKENHI)Grant No.JP20H00134]the Asian Office of Aerospace Research and Development(AOARD)(via Grant No.FA2386-20-1-4069)the Foundational Questions Institute Fund(FQXi)via Grant No.FQXi-IAF19-06.
文摘Quantum computers have made extraordinary progress over the past decade,and significant milestones have been achieved along the path of pursuing universal fault-tolerant quantum computers.Quantum advantage,the tipping point heralding the quantum era,has been accomplished along with several waves of breakthroughs.Quantum hardware has become more integrated and architectural compared to its toddler days.The controlling precision of various physical systems is pushed beyond the fault-tolerant threshold.Meanwhile,quantum computation research has established a new norm by embracing industrialization and commercialization.The joint power of governments,private investors,and tech companies has significantly shaped a new vibrant environment that accelerates the development of this field,now at the beginning of the noisy intermediate-scale quantum era.Here,we first discuss the progress achieved in the field of quantum computation by reviewing the most important algorithms and advances in the most promising technical routes,and then summarizing the next-stage challenges.Furthermore,we illustrate our confidence that solid foundations have been built for the fault-tolerant quantum computer and our optimism that the emergence of quantum killer applications essential for human society shall happen in the future.
文摘Quantum magnonics has recently attracted considerable interest not only in fundamental physics but also in applications,ranging from quantum information processing to quantum metrology[1].A unique merit of magnons,the quasiparticles or quantized unit of magnetic excitations in solids,is their ability to be effectively coupled with almost all different quantum information carriers,such as optical photons,mechanical phonons,superconducting qubits,and solid-state spins,which are otherwise difficult to be efficiently integrated together.
基金This work was supported by JSPS KAKENHI Grant no.JP17H06445,20K05438,and JST Gannt no.JPMJPF2221.We also acknowledge the computer resources provided by the Academic Center for Computing and Media Studies(ACCMS)at Kyoto University and by the Research Center of Computer Science(RCCS)at the Institute for Molecular Science.
文摘The ground and excited state calculations at key geometries, such as the Frank–Condon (FC) and the conical intersection (CI)geometries, are essential for understanding photophysical properties. To compute these geometries on noisy intermediate-scalequantum devices, we proposed a strategy that combined a chemistry-inspired spin-restricted ansatz and a new excited statecalculation method called the variational quantum eigensolver under automatically-adjusted constraints (VQE/AC). Unlike theconventional excited state calculation method, called the variational quantum deflation, the VQE/AC does not require the pre-determination of constraint weights and has the potential to describe smooth potential energy surfaces. To validate this strategy,we performed the excited state calculations at the FC and CI geometries of ethylene and phenol blue at the complete active spaceself-consistent field (CASSCF) level of theory, and found that the energy errors were at most 2 kcal mol−1 even on the ibm_kawasakidevice.
