2024
Simulating Chemistry on Bosonic Quantum Devices
Dutta R, Cabral D, Lyu N, Vu N, Wang Y, Allen B, Dan X, Cortiñas R, Khazaei P, Schäfer M, Albornoz A, Smart S, Nie S, Devoret M, Mazziotti D, Narang P, Wang C, Whitfield J, Wilson A, Hendrickson H, Lidar D, Pérez-Bernal F, Santos L, Kais S, Geva E, Batista V. Simulating Chemistry on Bosonic Quantum Devices. Journal Of Chemical Theory And Computation 2024, 20: 6426-6441. PMID: 39068594, DOI: 10.1021/acs.jctc.4c00544.Peer-Reviewed Original ResearchQuantum devicesQuantum two-level systemTwo-level systemMolecular vibronic spectraCalculations of electronic structureQuantum simulationBoson operatorsSystem HamiltonianQuantum computationVibronic spectraElectronic structureChemical dynamicsSolution-phaseReview recent progressGas-phaseChemical structureChemical problemsRecent progressCalculationsSimulate chemistryBosonsHamiltonianOscillationsDynamicsDevicesEffective 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
2014
Steered Quantum Dynamics for Energy Minimization
Soley M, Markmann A, Batista V. Steered Quantum Dynamics for Energy Minimization. The Journal Of Physical Chemistry B 2014, 119: 715-727. PMID: 25122515, DOI: 10.1021/jp5046723.Peer-Reviewed Original ResearchOptimal control algorithmDiffeomorphic modulationTime-dependent massNonlinear optimizationQuantum dynamicsIterative schemeEnergy minimizationEffective HamiltonianGlobal minimumControl algorithmLocal minimaAnnealing methodologyMinimizationExtended setAlgorithmDynamicsHamiltonianObservable responseOptimizationDipole momentMinimumScheme
2000
Nonadiabatic photodissociation dynamics of ICN in the à continuum: A semiclassical initial value representation study
Coronado E, Batista V, Miller W. Nonadiabatic photodissociation dynamics of ICN in the à continuum: A semiclassical initial value representation study. The Journal Of Chemical Physics 2000, 112: 5566-5575. DOI: 10.1063/1.481130.Peer-Reviewed Original ResearchFull quantum mechanical calculationsNonadiabatic photodissociation dynamicsPhotodissociation dynamicsMechanical calculationsQuantum mechanical calculationsSemiclassical initial value representation methodSemiclassical resultsNonadiabatic processesRotational distributionsSemiclassical techniquesAbsorption spectraModel HamiltonianExcellent agreementHamiltonianExperimental dataCalculationsContinuumDynamicsSpectraDirect comparisonQuantizationAgreementICN