2024
Subspace-Search Quantum Imaginary Time Evolution for Excited State Computations
Cianci C, Santos L, Batista V. Subspace-Search Quantum Imaginary Time Evolution for Excited State Computations. Journal Of Chemical Theory And Computation 2024, 20: 8940-8947. PMID: 39352769, DOI: 10.1021/acs.jctc.4c00915.Peer-Reviewed Original ResearchNoisy intermediate-scale quantumQuantum imaginary time evolutionImaginary time evolutionExcited statesQuantum (NISQStudy of excited statesComputation of excited statesLow-lying excited statesTime evolutionVariational quantum imaginary time evolutionCalculation of low-lying excited statesExcited state computationsQuantum systemsSmall molecular systemsVariational quantumLiH moleculeQuantum devicesGround stateQuantum computationQuantumMolecular systemsState algorithmState computationsLocal minimaVariational algorithmQuantum-to-Classical Neural Network Transfer Learning Applied to Drug Toxicity Prediction
Smaldone A, Batista V. Quantum-to-Classical Neural Network Transfer Learning Applied to Drug Toxicity Prediction. Journal Of Chemical Theory And Computation 2024, 20: 4901-4908. PMID: 38795030, DOI: 10.1021/acs.jctc.4c00432.Peer-Reviewed Original ResearchScalable machine learning modelVastness of chemical spaceInner product estimationDrug toxicity predictionMachine learning modelsLearnable weightsLearning AppliedDeep learningQuantum phase estimationTox21 dataHadamard testLearning modelsMatrix multiplicationReduced complexityNeural behaviorQuantum circuit designLife-saving applicationsQuantum advantagePrediction accuracyQuantumPhase estimationSwap testChemical spaceToxicity predictionCircuit designEffective versus Floquet theory for the Kerr parametric oscillator
García-Mata I, Cortiñas R, Xiao X, Chávez-Carlos J, Batista V, Santos L, Wisniacki D. Effective versus Floquet theory for the Kerr parametric oscillator. Quantum 2024, 8: 1298. DOI: 10.22331/q-2024-03-25-1298.Peer-Reviewed Original ResearchState-of-the-art experimentsKerr parametric oscillatorCat statesFloquet statesEffective HamiltonianParametrized gatesQuantum technologiesKerr oscillatorsQuasi-energiesParametric oscillatorPerturbation expansionQuantum computationParameter regimesRelevant physicsFloquet theoryKerrFloquetTechnological interestPhysicsOscillationsHamiltonianQuantumStateLow-orderOriginal system
2005
Coherent optical control of electronic excitations in functionalized semiconductor nanostructures
Rego L, Abuabara S, Batista V. Coherent optical control of electronic excitations in functionalized semiconductor nanostructures. Quantum Information And Computation 2005, 5: 318-334. DOI: 10.26421/qic5.45-4.Peer-Reviewed Original ResearchSemiconductor nanostructuresCoherent optical controlCoherent quantum stateSpatial Rabi oscillationsElectro-optic devicesAvailable semiconductor materialsBasic model componentsRabi oscillationsCoherent excitationOptical controlQuantum statesElectronic excitationPresented computational methodVacuum conditionsSemiconductor materialsElectron-hole transferNanostructuresAnatase nanostructuresExcitationComputational methodsQuantumLaserModel componentsCatechol moleculesOscillations