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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Correlated nanoelectronics and the second quantum revolution

The growing field of correlated nanoelectronics exists at the intersection of two established fields: correlated oxide electronics and semiconductor nanoelectronics. The development of quantum technologies that exploit quantum coherence and entanglement for the purposes of computation, simulation, and sensing will require complex material properties to be controlled at nanoscale dimensions. Heterostructures and nanostructures formed at the interface between LaAlO 3 and SrTiO 3 exhibit striking behavior that arises from the ability to program the conductive behavior at extreme nanoscale dimensions. The active electronic layer, SrTiO 3 , exhibits a wide range of gate-tunable phenomena such as ferroelectricity, ferroelasticity, magnetism, superconductivity, and spin–orbit coupling, all of which can be controlled at the nanoscale using two reversible methods: conductive atomic force microscope lithography and ultra-low-voltage electron beam lithography. Mesoscopic devices such as single-electron transistors and quasi-one-dimensional electron waveguides can be “sketched” using these techniques, and the properties of these devices differ significantly from those created from traditional semiconductors, such as Si or GaAs. The strongly correlated nature of the SrTiO 3 system is evident from superconducting behavior as well as a state in which electrons are paired outside the superconducting state. A highly exotic phase was discovered in which a degenerate quantum liquid is formed from bound states of n = 2, 3, 4, … electrons. Further development of correlated nanoelectronics based on the LaAlO 3 /SrTiO 3 system can potentially lead to a general platform for quantum simulation as well as a pathway for the development of highly entangled states of multiple photons.

36 MATERIALS SCIENCE↗

NASA NTRS1978

Time-delay-and-integration charge-coupled devices using tin oxide gate technology

Doped tin oxide gates are used in a time-delay-and-integration (TDI) CCD scheme in an effort to develop a stable transparent gate technology. Design characteristics of the system are discussed, including 2 sections of 10 by 9 integration stages, four-phase buried channel construction, and 10 input parallel-in/serial-out output shift register at a video rate of 1.25 MHz. A quantum efficiency of 65% with smooth spectral response is attained by front surface imaging. The suitability of the system for the Landsat program is discussed in terms of TDI-CCD operating parameters.

Thompson, L. L.↗

DOE OSTI2021

Quantum simulation of $\phi^4$ theories in qudit systems

We discuss the implementation of quantum algorithms for lattice $\Phi^4$ theory on circuit quantum electrodynamics (cQED) system. The field is represented on qudits in a discretized field amplitude basis. The main advantage of qudit systems is that its multi-level characteristic allows the field interaction to be implemented only with diagonal single-qudit gates. Considering the set of universal gates formed by the single-qudit phase gate and the displacement gate, we address initial state preparation and single-qudit gate synthesis with variational methods.

Kurkcuoglu, Doga Murat↗

DOE OSTI2025

Enhancing the Optically Detected Magnetic Resonance Signal of Organic Molecular Qubits

In quantum information science and sensing, electron spins are often purified into a specific polarization through an optical-spin interface, a process known as optically detected magnetic resonance (ODMR). Diamond-NV centers and transition metals are both excellent platforms for these so-called color centers, while metal-free molecular analogues are also gaining popularity for their extended polarization lifetimes, milder environmental impacts, and reduced costs. In our earlier attempt at designing such organic high-spin π-diradicals, we proposed to spin-polarize by shelving triplet M S = ±1 populations as singlets. This was recently verified by experiments albeit with low ODMR contrasts of <1% at temperatures above 5 K. In this work, we propose to improve the ODMR signal by moving singlet populations back into the triplet M S = 0 sublevel, designing a true carbon-based molecular analogue to the NV center. Our proposal is based upon transition-orbital and group-theoretical analyses of beyond-nearest-neighbor spin–orbit couplings, which are further confirmed by ab initio calculations of a realistic trityl-based radical dimer. Microkinetic analyses point toward high ODMR contrasts of around 30% under experimentally feasible conditions, a stark improvement from previous works. Finally, in our quest toward ground-state optically addressable molecular spin qubits, we exemplify how our symmetry-based design avoids Zeeman-induced singlet–triplet mixings, setting the scene for realizing electron spin qubit gates.

Group theory↗

DOE OSTI2023

QASMBench: A Low-Level Quantum Benchmark Suite for NISQ Evaluation and Simulation

The rapid development of quantum computing (QC) in the NISQ era urgently demands a low-level benchmark suite and insightful evaluation metrics for characterizing the properties of prototype NISQ devices, the efficiency of QC programming compilers, schedulers and assemblers, and the capability of quantum system simulators in a classical computer. In this work, we fill this gap by proposing a low-level, easy-to-use benchmark suite called QASMBench based on the OpenQASM assembly representation. It consolidates commonly used quantum routines and kernels from a variety of domains including chemistry, simulation, linear algebra, searching, optimization, arithmetic, machine learning, fault tolerance, cryptography, and so on, trading-off between generality and usability. To analyze these kernels in terms of NISQ device execution, in addition to circuit width and depth, we propose four circuit metrics including gate density, retention lifespan, measurement density, and entanglement variance, to extract more insights about the execution efficiency, the susceptibility to NISQ error, and the potential gain from machine-specific optimizations. Applications in QASMBench can be launched and verified on several NISQ platforms, including IBM-Q, Rigetti, IonQ and Quantinuum. For evaluation, we measure the execution fidelity of a subset of QASMBench applications on 12 IBM-Q machines through density matrix state tomography, comprising 25K circuit evaluations. In addition we also compare the fidelity of executions among the IBM-Q machines, the IonQ QPU and the Rigetti Aspen M-1 system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Partitioning Quantum Chemistry Simulations with Clifford Circuits

Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry calculations on quantum computers in the near term. Here, in this work, we investigate the limits of their classical and near-classical treatment while staying within the framework of quantum circuits and the variational quantum eigensolver. To this end, we consider naive and physically motivated, classically efficient product ansatz for the parametrized wavefunction adapting the separable-pair ansatz form. We combine it with post-treatment to account for interactions between subsystems originating from this ansatz. The classical treatment is given by another quantum circuit that has support between the enforced subsystems and is folded into the Hamiltonian. To avoid an exponential increase in the number of Hamiltonian terms, the entangling operations are constructed from purely Clifford or near-Clifford circuits. While Clifford circuits can be simulated efficiently classically, they are not universal. In order to account for missing expressibility, near-Clifford circuits with only few, selected non-Clifford gates are employed. The exact circuit structure to achieve this objective is molecule-dependent and is constructed using simulated annealing and genetic algorithms. We demonstrate our approach on a set of molecules of interest and investigate the extent of our methodology’s reach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Tunable superconductivity and its origin at KTaO3 interfaces

Abstract What causes Cooper pairs to form in unconventional superconductors is often elusive because experimental signatures that connect to a specific pairing mechanism are rare. Here, we observe distinct dependences of the superconducting transition temperature T c on carrier density n 2D for electron gases formed at KTaO 3 (111), (001) and (110) interfaces. For the (111) interface, a remarkable linear dependence of T c on n 2D is observed over a range of nearly one order of magnitude. Further, our study of the dependence of superconductivity on gate electric fields reveals the role of the interface in mediating superconductivity. We find that the extreme sensitivity of superconductivity to crystallographic orientation can be explained by pairing via inter-orbital interactions induced by an inversion-breaking transverse optical phonon and quantum confinement. This mechanism is also consistent with the dependence of T c on n 2D . Our study may shed light on the pairing mechanism in other superconducting quantum paraelectrics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Characterization of Mn 5 Ge 3 Contacts on a Shallow Ge/SiGe Heterostructure

Mn 5 Ge 3 is a ferromagnetic phase of the Mn-Ge system that is a potential contact material for efficient spin injection and detection. Here, we investigate the creation of Mn 5 Ge 3 -based contacts on a Ge/SiGe quantum well heterostructure via solid-state synthesis. X-ray diffraction spectra fitting indicates the formation of Mn 5 Ge 3 -based contacts on bulk Ge and Ge/SiGe. High-resolution scanning transmission electron microscopy imaging and energy dispersive X-ray spectroscopy verify the correct Mn 5 Ge 3 -based phase formation. Schottky diode measurements, transmission line measurements, and Hall measurements reveal that Mn 5 Ge 3 -based contacts serve as good p-type contacts for Ge/SiGe quantum well heterostructures due to having a low Schottky barrier height of 0.10 eV (extracted from a Mn 5 Ge 3 /n-Ge analogue) and a contact resistance in the order of 1 kΩ. Furthermore, we show that these electrical characteristics have a gate-voltage dependence, thereby providing tunability.

36 MATERIALS SCIENCE↗

NASA NTRS1998

Multi-Dimensional Quantum Effect Simulation Using a Density-Gradient Model and Script-Level Programming Techniques

A density-gradient (DG) model is used to calculate quantum-mechanical corrections to classical carrier transport in MOS (Metal Oxide Semiconductor) inversion/accumulation layers. The model is compared to measured data and to a fully self-consistent coupled Schrodinger and Poisson equation (SCSP) solver. Good agreement is demonstrated for MOS capacitors with gate oxide as thin as 21 A. It is then applied to study carrier distribution in ultra short MOSFETs (Metal Oxide Semiconductor Field Effect Transistor) with surface roughness. This work represents the first implementation of the DG formulation on multidimensional unstructured meshes. It was enabled by a powerful scripting approach which provides an easy-to-use and flexible framework for solving the fourth-order PDEs (Partial Differential Equation) of the DG model.

Rafferty, Connor S.↗

DOE OSTI2024

Simplified projection on total spin zero for state preparation on quantum computers

Here, we introduce a simple algorithm for projecting on J = 0 states of a many-body system by performing a series of rotations to remove states with angular momentum projections greater than zero. Existing methods rely on unitary evolution with the two-body operator J 2 , which when expressed in the computational basis contains many complicated Pauli strings requiring Trotterization and leading to very deep quantum circuits. Our approach performs the necessary projections using the one-body operators J x and J z . By leveraging the method of Cartan decomposition, the unitary transformations that perform the projection can be parametrized as a product of a small number of two-qubit rotations, with angles determined by an efficient classical optimization. Given the reduced complexity in terms of gates, this approach can be used to prepare approximate ground states of even-even nuclei by projecting onto the J = 0 component of deformed Hartree-Fock states. We estimate the resource requirements in terms of the universal gate set {H,S, CNOT ,T} and briefly discuss a variant of the algorithm that projects onto J = 1/2 states of a system with an odd number of fermions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Strain Effects on Rashba Spin–Orbit Coupling of 2D Hole Gases in GeSn/Ge Heterostructures

A demonstration of 2D hole gases in GeSn/Ge heterostructures with a mobility as high as 20 000 cm 2 V –1 s –1 is given. Both the Shubnikov–de Haas oscillations and integer quantum Hall effect are observed, indicating high sample quality. The Rashba spin-orbit coupling (SOC) is investigated via magneto-transport. Further, a transition from weak localization to weak anti-localization is observed, which shows the tunability of the SOC strength by gating. The magneto-transport data are fitted to the Hikami–Larkin–Nagaoka formula. The phase-coherence and spin-relaxation times, as well as spin-splitting energy and Rashba coefficient of the k-cubic term, are extracted. Furthermore, the analysis reveals that the effects of strain and confinement potential at a high fraction of Sn suppress the Rashba SOC caused by the GeSn/Ge heterostructures.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Universal control in bosonic systems with weak Kerr nonlinearities

Resonators with weak single-photon self-Kerr nonlinearities can theoretically be used to prepare Fock states in the presence of a loss much larger than their nonlinearities. Two necessary ingredients are large displacements and a two-photon (parametric) drive. Here, in this study, we find that these systems can be controlled to achieve any desired gate operation in a finite-dimensional subspace (whose dimensionality can be chosen at will). Moreover, we show that the two-photon driving requirement can be relaxed and that full controllability is achievable with only one-photon (linear) drives. We make use of both Trotter-Suzuki decompositions and gradient-based optimization to find control pulses for a desired gate, which reduces the computational overhead by using a small blockaded subspace. We also discuss the infidelity arising from input power limitations in realistic settings, as well as from corrections to the rotating-wave approximation. Our universal control protocol opens the possibility for quantum information processing using a wide range of lossy systems with weak nonlinearities.

Yuan, Ming [Univ. of Chicago, IL (United States)] ↗

DOE OSTI2026

Probing Quantum Anomalous Hall States in Twisted Bilayer WSe 2 via Attractive Polaron Spectroscopy

Moiré superlattices in semiconductors exhibit a rich variety of interaction-induced topological states, including quantum anomalous Hall (QAH) effects. A recent study hinted that twisted WSe 2 homobilayer (tWSe 2 ) could host a QAH state but lacked direct evidence of ferromagnetism, a key hallmark of this phase. Here, we report the first direct evidence of QAH states in tWSe 2 with spontaneous ferromagnetism. Specifically, we employ polarization-resolved attractive polaron spectroscopy on a dual-gated, 2° tWSe 2 and observe direct signatures of spontaneous time-reversal symmetry breaking at hole filling 𝜈 = 1. Together with a Chern number (𝐶) measurement via Streda formula analysis, we identify this magnetized state as a topological state, characterized by 𝐶 = 1. Furthermore, we demonstrate that these topological and magnetic properties are tunable via a finite displacement field, between a QAH ferromagnetic state and an antiferromagnetic state. Our findings position tWSe 2 as a highly versatile, stable, and optically addressable platform for investigating topological order and strong correlations in two-dimensional landscapes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2026

Efficient Routing of Quantum LDPC Codes on Programmable 2D Toric Architectures

Quantum low-density parity-check codes are promising candidates towards scalable fault-tolerant quantum computation. Among these, bivariate bicycle (BB) codes offer superior encoding rates and large code distance compared to surface codes. However, their requirement on long-range stabilizer measurements poses significant challenges for implementation on realistic hardware with limited connectivity, such as superconducting circuit platforms. In this work, we introduce a novel hardware-software co-design that leverages a programmable communication network architecture to address these limitations. Our approach utilizes a 2D toric network of oscillators as a flexible communication fabric linking qubits at each site. Such architecture significantly reduces the number of long-range couplers required from O ( n ) to O (√ n ). Dual-rail qubits, along with native gates including Swap-Wait-Swap gates and beamsplitter SWAPs, ensure that long-range two-qubit gates can be executed with high fidelity and low latency. To further enhance performance, our qubit layout and routing algorithm utilize symmetries of the codes and enable maximum parallelism for long-range two-qubit gates, maintaining a low syndrome extraction cycle duration and scalability over the code length. We perform circuit-level simulation with realistic noise modeling based on experimental hardware parameters, observing an logical error rate per logical qubit per cycle of 3.06% for [[18,4,4]] BB code, 2.6× less than the existing experimental result. These findings provide a practical roadmap and identify key technological advancements needed to achieve low-overhead fault-tolerant quantum computing at scale.

Liu, Kun [Yale Univ., New Haven, CT (United States↗

DOE OSTI2025

Real classical shadows

Efficiently learning expectation values of a quantum state using classical shadow tomography has become a fundamental task in quantum information theory. In a classical shadows protocol, one measures a state in a chosen basis $\mathcal{W}$ after it has evolved under a unitary transformation randomly sampled from a chosen distribution $\mathcal{U}$. In this work we study the case where $\mathcal{U}$ corresponds to either local or global orthogonal Clifford gates, and $\mathcal{W}$ consists of real-valued vectors. Our results show that for various situations of interest, this ‘real’ classical shadow protocol improves the sample complexity over the standard scheme based on general Clifford unitaries. For example, when one is interested in estimating the expectation values of arbitrary real-valued observables, global orthogonal Cliffords typically decrease the required number of samples by a factor of two. More dramatically, for k-local observables composed only of real-valued Pauli operators, sampling local orthogonal Cliffords leads to a reduction by an exponential-in-k factor in the sample complexity over local unitary Cliffords. Finally, we show that by measuring in a basis containing complex-valued vectors, orthogonal shadows can, in the limit of large system size, exactly reproduce the original unitary shadows protocol.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Correlated Double-Electron Additions at the Edge of a Two-Dimensional Electronic System

We create laterally large and low-disorder GaAs quantum-well-based quantum dots that act as small two-dimensional electron systems. We monitor tunneling of single electrons to the dots by means of capacitance measurements and identify single-electron capacitance peaks in the addition spectrum from occupancies of one up to thousands of electrons. The data show two remarkable phenomena in the Landau level filling factor range ν = 2 to ν = 5 in selective probing of the edge states of the dot: (i) Coulomb blockade peaks arise from the entrance of two electrons rather than one; (ii) at and near ν = 5/2 and at fixed gate voltage, these double-height peaks appear uniformly in a magnetic field with a flux periodicity of h/2e, but they group into pairs at other filling factors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2000

Effect of Oxide Interface Roughness on the Threshold Voltage Fluctuations in Decanano MOSFETs with Ultrathin Gate Oxides

In this paper we use the Density Gradient (DG) simulation approach to study, in 3-D, the effect of local oxide thickness fluctuations on the threshold voltage of decanano MOSFETs on a statistical scale. The random 2-D surfaces used to represent the interface are constructed using the standard assumptions for the auto-correlation function of the interface. The importance of the Quantum Mechanical effects when studying oxide thickness fluctuations are illustrated in several simulation examples.

Asenov, Asen↗

DOE OSTI2022

Simulating Effective QED on Quantum Computers

In recent years simulations of chemistry and condensed materials has emerged as one of the preeminent applications of quantum computing, offering an exponential speedup for the solution of the electronic structure for certain strongly correlated electronic systems. To date, most treatments have ignored the question of whether relativistic effects, which are described most generally by quantum electrodynamics (QED), can also be simulated on a quantum computer in polynomial time. Here we show that effective QED, which is equivalent to QED to second order in perturbation theory, can be simulated in polynomial time under reasonable assumptions while properly treating all four components of the wavefunction of the fermionic field. In particular, we provide a detailed analysis of such simulations in position and momentum basis using Trotter-Suzuki formulas. We find that the number of T -gates needed to perform such simulations on a 3 D lattice of n s sites scales at worst as O ( n s 3 / ϵ ) 1 + o ( 1 ) in the thermodynamic limit for position basis simulations and O ( n s 4 + 2 / 3 / ϵ ) 1 + o ( 1 ) in momentum basis. We also find that qubitization scales slightly better with a worst case scaling of O ~ ( n s 2 + 2 / 3 / ϵ ) for lattice eQED and complications in the prepare circuit leads to a slightly worse scaling in momentum basis of O ~ ( n s 5 + 2 / 3 / ϵ ) . We further provide concrete gate counts for simulating a relativistic version of the uniform electron gas that show challenging problems can be simulated using fewer than 10 13 non-Clifford operations and also provide a detailed discussion of how to prepare multi-reference configuration interaction states in effective QED which can provide a reasonable initial guess for the ground state. Finally, we estimate the planewave cutoffs needed to accurately simulate heavy elements such as gold.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗