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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Exploring Quantum State Preparation Using Tensor Networks and Sparse Wavefunction Simulations

The variational quantum eigenvalue solver is a powerful hybrid quantum-classical approach that has been suggested as a candidate method to run on near-term quantum hardware for computing ground state electronic energies of molecular systems. However, even for small molecules, the number of variational parameters and qubits required to minimize the electronic energy is beyond the reach of current quantum computers except for small basis sets. We explore a new paradigm for state preparation where we test how much of the optimization can be approximately prepared with classical computers to reduce the number of optimization steps performed using a quantum device. By adapting a recent algorithm for the factorized form of the UCC ansatz, we can study molecular electronic structure problems with up to 64 qubits. In addition, we also test a related approach of using tensor networks to optimize quantum circuits in order to benchmark various lattice models. We present results using these approaches and discuss strategies for incorporating these ideas into variational algorithms involving near-term quantum computers. Our results help demonstrate the strength of the UCC ansatz and address pressing questions about optimal initial parameterizations and circuit construction.

quantum computing↗
NASA NTRSDate not supplied

Preparing Quantum Many-Body Scar States on Quantum Computers

Quantum many-body scar states are highly excited eigenstates of many-body systems that exhibit atypical entanglement and correlation properties relative to other eigenstates at the same energy density. Scar states also give rise to infinitely long-lived coherent dynamics when the system is prepared in a special initial state having finite overlap with them. Many models with exact scar states have been constructed, but the fate of scarred eigenstates and dynamics when these models are perturbed is difficult to study with classical computational techniques. In this work, we propose state preparation protocols for individual scar states in a particular model, as well as superpositions of them that give rise to coherent dynamics. For superpositions of scar states, we propose both a linear depth unitary and a finite-depth nonunitary state preparation protocol, the latter of which uses measurement and postselection to reduce the circuit depth. For individual scarred eigenstates, we propose a circuit architecture with polynomial depth. We also provide proof of principle implementations of these protocols on superconducting quantum hardware.

Quantum Computing↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^8 determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

J Wayne Mullinax↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^(8) determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

Quantum Computing↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^(8) determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

Quantum Computing↗
NASA NTRS1994

Complementarity and path distinguishability: Some recent results concerning photon pairs

Two results concerning photon pairs, one previously reported and one new, are summarized. It was previously shown that if the two photons are prepared in a quantum state formed from bar-A and bar-A' for photon 1 and bar-B and bar-B' for photon 2, then both one- and two-particle interferometry can be studied. If upsilon(sub i) is the visibility of one-photon interference fringes (i = 1,2) and upsilon(sub 12) is the visibility of two-photon fringes (a concept which we explicitly define), then upsilon(sub i) squared + upsilon(sub 12) squared is less than or equal to 1. The second result concerns the distinguishability of the paths of photon 2, using the known 2-photon state. A proposed measure E for path distinguishability is based upon finding an optimum strategy for betting on the outcome of a path measurement. Mandel has also proposed a measure of distinguishability P(sub D), defined in terms of the density operator rho of photon 2. We show that E is greater than or equal to P(sub D) and that upsilon(sub 2) = (1 - E(exp 2))exp 1/2.

Shimony, Abner↗
NASA NTRSDate not supplied

Simulating a Low-Weight Encoding of the Fermi-Hubbard Model Feedback and Support with QAOA

Recent work [1] has proposed a compact fermion-to-qubit mapping for the Fermi-Hubbard model (FHM), potentially lowering the overhead needed to simulate such a system on quantum hardware. In prior work [2], we numerically investigated how well a quantum annealer could prepare ground states of the FHM encoded using the resource-efficient mapping. In order to compare these results to gate-model systems, we turn to a QAOA-style approach and replace the annealing schedule with both Trotterizations thereof and also more general Hamiltonian-variational ansatze based on the terms of the mapped FH Hamiltonian. We investigate the achievable ground state fidelities of these gate sequences, consider various optimizations of the ansatze structure, and offer resource estimations of the optimized QAOA protocols for near-term hardware.

quantum computing↗
NASA NTRS2010

Repetitive Interrogation of 2-Level Quantum Systems

Trapped ion clocks derive information from a reference atomic transition by repetitive interrogations of the same quantum system, either a single ion or ionized gas of many millions of ions. Atomic beam frequency standards, by contrast, measure reference atomic transitions in a continuously replenished "flow through" configuration where initial ensemble atomic coherence is zero. We will describe some issues and problems that can arise when atomic state selection and preparation of the quantum atomic system is not completed, that is, optical pumping has not fully relaxed the coherence and also not fully transferred atoms to the initial state. We present a simple two-level density matrix analysis showing how frequency shifts during the state-selection process can cause frequency shifts of the measured clock transition. Such considerations are very important when a low intensity lamp light source is used for state selection, where there is relatively weak relaxation and re-pumping of ions to an initial state and much weaker 'environmental' relaxation of the atomic coherence set-up in the atomic sample.

Rabi interrogation↗
NASA NTRS1994

Quantum state engineering

We show how to create an arbitrary field state in a cavity by sending appropriately prepared two-level atoms through the cavity and subsequently detecting them in their ground state.

Vogel, Karl↗
NASA NTRS2001

Quantum Dots Investigated for Solar Cells

The NASA Glenn Research Center has been investigating the synthesis of quantum dots of CdSe and CuInS2 for use in intermediate-bandgap solar cells. Using quantum dots in a solar cell to create an intermediate band will allow the harvesting of a much larger portion of the available solar spectrum. Theoretical studies predict a potential efficiency of 63.2 percent, which is approximately a factor of 2 better than any state-of-the-art devices available today. This technology is also applicable to thin-film devices--where it offers a potential four-fold increase in power-to-weight ratio over the state of the art. Intermediate-bandgap solar cells require that quantum dots be sandwiched in an intrinsic region between the photovoltaic solar cell's ordinary p- and n-type regions (see the preceding figure). The quantum dots form the intermediate band of discrete states that allow sub-bandgap energies to be absorbed. However, when the current is extracted, it is limited by the bandgap, not the individual photon energies. The energy states of the quantum dot can be controlled by controlling the size of the dot. Ironically, the ground-state energy levels are inversely proportional to the size of the quantum dots. We have prepared a variety of quantum dots using the typical organometallic synthesis routes pioneered by Ba Wendi et al., in the early 1990's. The most studied quantum dots prepared by this method have been of CdSe. To produce these dots, researchers inject a syringe of the desired organometallic precursors into heated triocytlphosphine oxide (TOPO) that has been vigorously stirred under an inert atmosphere (see the following figure). The solution immediately begins to change from colorless to yellow, then orange and red/brown, as the quantum dots increase in size. When the desired size is reached, the heat is removed from the flask. Quantum dots of different sizes can be identified by placing them under a "black light" and observing the various color differences in their fluorescence (see the photograph).

Bailey, Sheila G.↗
NASA NTRS1984

Quantum chemical study of methane oxidation species

Work completed on the 2A1 excited state and low-lying dissociative states of the methoxy radical is reported. A manuscript was prepared that reports the characterization of the 2A1 electronic state, the excitation energies and Franck-Condon factors for the 2A1 - 2E system, and the energies of intersection between the 2A1 state and the nearby dissociative states. The minimum excitation energy needed for predissociation of methoxy is predicted along with the corresponding implications for atmospheric chemistry.

Jackels, C. F.↗
NASA NTRS1994

Bloch vector projection noise

In the optical measurement of the Bloch vector components describing a system of N two-level atoms, the quantum fluctuations in these components are coupled into the measuring optical field. This paper develops the quantum theory of optical measurement of Bloch vector projection noise. The preparation and probing of coherence in an effective two-level system consisting of the two ground states in an atomic three-level lambda-scheme are analyzed.

Wang, Li-Jun↗
NASA NTRS2004

Novel Biomedical Device Utilizing Light-Emitting Nanostructures Developed

Sketches and chemical diagrams of state-of-the-art device and novel proposed device are presented. Current device uses a diode laser that emits into a fluorescent fluid only one wavelength and a photodetector diode that detects only one wavelength. Only one type of bacteria can be detected. The proposed device uses a quantum dot array that emits into a fluorescent fluid multiple wavelengths and an NIR 512 spectrometer that scans 0.8- to 1.7-mm wavelengths. Hundreds of different bacteria and viruses can be detected. A novel biomedical device is being developed at the NASA Glenn Research Center in cooperation with the University of Michigan. This device uses nano-structured quantum dots that emit light in the near-infrared (IR) region. The nanostructured quantum dots are used as a source and excite fluorochrome polymers coupled with antibodies that seek out and attach to specific bacteria and viruses. The fluorochrome polymers/antibodies fluoresce at specific wavelengths in the near-IR spectrum, but these wavelengths are offset from the excitation wavelength and can be detected with a tunable spectrometer. The device will be used to detect the presence of viruses and bacteria in simple fluids and eventually in more complex fluids, such as blood. Current state-of-the-art devices are limited to single bacteria or virus detection and a considerable amount of time and effort is required to prepare samples for analysis. Most importantly, the devices are quite large and cumbersome, which prohibits them from being used on the International Space Station and the space shuttles. This novel device uses nanostructured quantum dots which, through molecular beam epitaxy and highly selective annealing processes, can be developed into an illumination source that could potentially generate hundreds of specific wavelengths. As a result, this device will be able to excite hundreds of antibody/fluorochrome polymer combinations, which in turn could be used to detect hundreds of bacteria and viruses in fluids. A novel sample preparation technique that exploits micromembrane filtration and centrifugation methods has been developed for this device. The technique greatly reduces the time required to prepare the sample and the amount of sample needed to perform an accurate and comprehensive analysis. Last, and probably most important, because of the nano-light-emitting source and the novel sample preparation technique, the overall size of the device could be reduced dramatically. This device will serve as a nanoscale lab-on-a-chip for in situ microorganism detection and will enable tests to be performed on a time scale of minutes rather than days. Thus, it is ideally suited for monitoring the environmental conditions onboard the International Space Station and the space shuttles, thereby enhancing the safety of the astronauts. In addition, the device has important commercial applications, such as detecting the presence of bacteria and viruses in water at food- and beverage-processing centers, water treatment plants, and restaurants. Also, this technology has the potential to be used to detect bacteria and viruses in more complex fluids, such as blood--which in all likelihood would revolutionize blood analysis as it is performed today. This project was made possible through the Director's Discretionary Fund and is ongoing. In addition, this project provides funding to Dr. Rachel Goldman of the University of Michigan for the research and development of nanostructured quantum dots.

Scardelletti, Maximilian C.↗
NASA NTRS2003

Linear optics and projective measurements for fun and profit

The technique of projective measurements in linear optics can provide an apparent, efficient nonlinear interaction between photons, which is technically problematic otherwise. We present an application of such a technique to prepare large photon-number path entanglement.

linear↗
NASA NTRS2007

Can the Hypothesis 'Photon Interferes only with Itself' be Reconciled with Superposition of Light from Multiple Beams or Sources?

Any superposition effect as measured (SEM) by us is the summation of simultaneous stimulations experienced by a detector due to the presence of multiple copies of a detectee each carrying different values of the same parameter. We discus the cases with light beams carrying same frequency for both diffraction and multiple beam Fabry-Perot interferometer and also a case where the two superposed light beams carry different frequencies. Our key argument is that if light really consists of indivisible elementary particle, photon, then it cannot by itself create superposition effect since the state vector of an elementary particle cannot carry more than one values of any parameter at the same time. Fortunately, semiclassical model explains all light induced interactions using quantized atoms and classical EM wave packet. Classical physics, with its deeper commitment to Reality Ontology, was better prepared to nurture the emergence of Quantum Mechanics and still can provide guidance to explore nature deeper if we pay careful attention to successful classical formulations like Huygens-Fresnel diffraction integral.

Roychoudhuri, Chandrasekhar↗
NASA NTRS1992

Algorithmic information theory and the hidden variable question

The admissibility of certain nonlocal hidden-variable theories are explained via information theory. Consider a pair of Stern-Gerlach devices with fixed nonparallel orientations that periodically perform spin measurements on identically prepared pairs of electrons in the singlet spin state. Suppose the outcomes are recorded as binary strings l and r (with l sub n and r sub n denoting their n-length prefixes). The hidden-variable theories considered here require that there exists a recursive function which may be used to transform l sub n into r sub n for any n. This note demonstrates that such a theory cannot reproduce all the statistical predictions of quantum mechanics. Specifically, consider an ensemble of outcome pairs (l,r). From the associated probability measure, the Shannon entropies H sub n and H bar sub n for strings l sub n and pairs (l sub n, r sub n) may be formed. It is shown that such a theory requires that the absolute value of H bar sub n - H sub n be bounded - contrasting the quantum mechanical prediction that it grow with n.

Fuchs, Christopher↗
NASA NTRS2010

A Transportable Gravity Gradiometer Based on Atom Interferometry

A transportable atom interferometer-based gravity gradiometer has been developed at JPL to carry out measurements of Earth's gravity field at ever finer spatial resolutions, and to facilitate high-resolution monitoring of temporal variations in the gravity field from ground- and flight-based platforms. Existing satellite-based gravity missions such as CHAMP and GRACE measure the gravity field via precise monitoring of the motion of the satellites; i.e. the satellites themselves function as test masses. JPL's quantum gravity gradiometer employs a quantum phase measurement technique, similar to that employed in atomic clocks, made possible by recent advances in laser cooling and manipulation of atoms. This measurement technique is based on atomwave interferometry, and individual laser-cooled atoms are used as drag-free test masses. The quantum gravity gradiometer employs two identical atom interferometers as precision accelerometers to measure the difference in gravitational acceleration between two points (Figure 1). By using the same lasers for the manipulation of atoms in both interferometers, the accelerometers have a common reference frame and non-inertial accelerations are effectively rejected as common mode noise in the differential measurement of the gravity gradient. As a result, the dual atom interferometer-based gravity gradiometer allows gravity measurements on a moving platform, while achieving the same long-term stability of the best atomic clocks. In the laboratory-based prototype (Figure 2), the cesium atoms used in each atom interferometer are initially collected and cooled in two separate magneto-optic traps (MOTs). Each MOT, consisting of three orthogonal pairs of counter-propagating laser beams centered on a quadrupole magnetic field, collects up to 10(exp 9) atoms. These atoms are then launched vertically as in an atom fountain by switching off the magnetic field and introducing a slight frequency shift between pairs of lasers to create a moving rest frame for the trapped atoms. While still in this moving-frame molasses, the laser frequencies are further detuned from the atomic resonance (while maintaining this relative frequency shift) to cool the atom cloud's temperature to 2 K or below, corresponding to an rms velocity of less than 2 cm/s. After launch, the cold atoms undergo further state and velocity selection to prepare for atom interferometry. The atom interferometers are then realized using laser-induced stimulated Raman transitions to perform the necessary manipulations of each atom, and the resulting interferometer phase is measured using laser-induced fluorescence for state-normalized detection. More than 20 laser beams with independent controls of frequency, phase, and intensity are required for this measurement sequence. This instrument can facilitate the study of Earth's gravitational field from surface and air vehicles, as well as from space by allowing gravity mapping from a low-cost, single spacecraft mission. In addition, the operation of atom interferometer-based instruments in space offers greater sensitivity than is possible in terrestrial instruments due to the much longer interrogation times available in the microgravity environment. A space-based quantum gravity gradiometer has the potential to achieve sensitivities similar to the GRACE mission at long spatial wavelengths, and will also have resolution similar to GOCE for measurement at shorter length scales.

Yu, Nan↗
NASA NTRS2006

THz Spectroscopy and Spectroscopic Database for Astrophysics

Molecule specific astronomical observations rely on precisely determined laboratory molecular data for interpretation. The Herschel Heterodyne Instrument for Far Infrared, a suite of SOFIA instruments, and ALMA are each well placed to expose the limitations of available molecular physics data and spectral line catalogs. Herschel and SOFIA will observe in high spectral resolution over the entire far infrared range. Accurate data to previously unimagined frequencies including infrared ro-vibrational and ro-torsional bands will be required for interpretation of the observations. Planned ALMA observations with a very small beam will reveal weaker emission features requiring accurate knowledge of higher quantum numbers and additional vibrational states. Historically, laboratory spectroscopy has been at the front of submillimeter technology development, but now astronomical receivers have an enormous capability advantage. Additionally, rotational spectroscopy is a relatively mature field attracting little interest from students and funding agencies. Molecular database maintenance is tedious and difficult to justify as research. This severely limits funding opportunities even though data bases require the same level of expertise as research. We report the application of some relatively new receiver technology into a simple solid state THz spectrometer that has the performance required to collect the laboratory data required by astronomical observations. Further detail on the lack of preparation for upcoming missions by the JPL spectral line catalog is given.

THz spectrometer↗