Molecular Physics Group

Error mitigation is essential for unlocking the full potential of quantum algorithms and accelerating the timeline toward quantum advantage. As quantum hardware progresses to push the boundaries of classical simulation, efficient and robust error mitigation methods are becoming increasingly important for producing accurate and reliable outputs. However, existing error-mitigation approaches face a fundamental tradeoff between practical performance and reliability: heuristic methods such as zero-noise extrapolation (ZNE) enjoy faster runtime but lack accuracy guarantees, while rigorous techniques such as probabilistic error cancellation (PEC) provide unbiased estimates at prohibitive computational cost. We introduce a characterization-based, rigorously-grounded quantum error mitigation and error suppression framework (QESEM) that resolves this tradeoff by leveraging the accuracy guarantees of quasi-probabilistic mitigation with dramatically reduced overhead. We explain the innovative methods underlying QESEM and demonstrate its capabilities in the largest utility-scale error mitigation experiment based on an unbiased method. This experiment simulates the kicked transverse field Ising model with far-from-Clifford parameters on an IBM Heron device. We further validate QESEM's versatility across arbitrary quantum circuits and devices through high-accuracy error-mitigated molecular VQE circuits executed on IBM Heron and IonQ trapped-ion devices. Compared with multiple variants of the widely used zero-noise extrapolation method, QESEM consistently achieves higher accuracy while avoiding the prohibitive runtime overhead associated with PEC. These results mark a significant step forward in accuracy and reliability for running quantum circuits on current devices across diverse applications. Finally, we provide projections of QESEM's performance on near-term devices toward quantum advantage.

We put forth a hitherto unexplored control strategy that enables high-fidelity fast transport of an unstable quantum wavepacket even in the presence of bath-induced dissipation. The wavepacket, which is confined within any shallow (anharmonic) potential trap is steered in acceleration, so as to maximize the transfer fidelity. This strategy can generally optimize any non-Markovian bath-dressed continuous-variable system dynamics. It can simultaneously cope with wavepacket leakage via non-adiabatic transitions and bath-induced dissipation in an optimal fashion. It can outperform methods based on counterdiabatic fields (shortcuts to adiabaticity) particularly for fast non-adiabatic transport. Transport fidelity is maximized even for trajectories exceeding the speed of bath-excitation propagation, e.g. for supersonic transfer through phonon baths. This general approach is illustrated for optimized transfer of impurities in Bose-Einstein condensates. It is applicable to both dissipative and non-dissipative transfer of trapped atoms and ions and molecular reaction products.

We present protocols for preparing two-dimensional abelian and non-abelian topologically ordered states by employing finite depth unitary circuits composed of long-ranged, simultaneous, and mutually commuting two-qubit gates. Our protocols are motivated by recent proposals for circuits in trapped ion systems, which allow each qubit to participate in multiple gates simultaneously. Our circuits are shown to be optimal, in the sense that the number of two-qubit gates and ancilla qubits scales as $O(L^2)$, where $L$ is the linear size of the system. Examples include the ground states of the toric code, certain Kitaev quantum double models, and string net models. Going beyond two dimensions, we extend our scheme to more general Calderbank-Shor-Steane (CSS) codes. As an application, we present protocols for realizing the three-dimensional Haah's code and X-Cube fracton models.

Qubits based on ions trapped in linear radio-frequency traps form a successful platform for quantum computing, due to their high fidelity of operations, all-to-all connectivity and degree of local control. In principle there is no fundamental limit to the number of ion-based qubits that can be confined in a single 1D register. However, in practice there are two main issues associated with long trapped-ion crystals, that stem from the 'softening' of their modes of motion, upon scaling up: high heating rates of the ions' motion, and a dense motional spectrum; both impede the performance of high-fidelity qubit operations. Here we propose a holistic, scalable architecture for quantum computing with large ion-crystals that overcomes these issues. Our method relies on dynamically-operated optical potentials, that instantaneously segment the ion-crystal into cells of a manageable size. We show that these cells behave as nearly independent quantum registers, allowing for parallel entangling gates on all cells. The ability to reconfigure the optical potentials guarantees connectivity across the full ion-crystal, and also enables efficient mid-circuit measurements. We study the implementation of large-scale parallel multi-qubit entangling gates that operate simultaneously on all cells, and present a protocol to compensate for crosstalk errors, enabling full-scale usage of an extensively large register. We illustrate that this architecture is advantageous both for fault-tolerant digital quantum computation and for analog quantum simulations.

We show that coupling of ultralight dark matter (UDM) to quarks and gluons would lead to an oscillation of the nuclear charge radius for both the quantum chromodynamics (QCD) axion and scalar dark matter. Consequently, the resulting oscillation of electronic energy levels could be resolved with optical atomic clocks, and their comparisons can be used to investigate UDM-nuclear couplings, which were previously only accessible with other platforms. We demonstrate this idea using the ${}^2S_{1/2} (F=0)\leftrightarrow {}^2F_{7/2} (F=3)$ electric octupole and ${}^2S_{1/2} (F=0)\leftrightarrow \,{}^2D_{3/2} (F=2)$ electric quadrupole transitions in ${}^{171}Yb^+$. Based on the derived sensitivity coefficients for these two transitions and a long-term comparison of their frequencies using a single trapped ${}^{171}Yb^+$ ion, we find bounds on the scalar UDM-nuclear couplings and the QCD axion decay constant. These results are at a similar level compared to the tightest spectroscopic limits, and future investigations, also with other optical clocks, promise significant improvements.

High fidelity single and multi-qubit operations compose the backbone of quantum information processing. This fidelity is based on the ability to couple single- or two-qubit levels in an extremely coherent and precise manner. A necessary condition for coherent quantum evolution is a highly stable local oscillator driving these transitions. Here we study the effect of fast noise, that is noise at frequencies much higher than the local oscillator linewidth, on the fidelity of one- and two-qubit gates in a trapped-ion system. We analyze and measure the effect of fast noise on single qubit operations including resonant $π$ rotations and off-resonant sideband transitions . We further analyze the effect of fast phase noise on the Molmer-Sorensen two-qubit gate. We find a unified and simple way to estimate the performance of all of these operations through a single parameter given by the noise power spectral density at the qubit response frequency. While our analysis focuses on phase noise and on trapped-ion systems, it is relevant for other sources of fast noise as well as for other qubit systems in which spin-like qubits are coupled by a common bosonic field. Our analysis can help in guiding the deign of quantum hardware platforms and gates, improving their fidelity towards fault-tolerant quantum computing.

Entangling gates are an essential component of quantum computers. However, generating high-fidelity gates, in a scalable manner, remains a major challenge in all quantum information processing platforms. Accordingly, improving the fidelity and robustness of these gates has been a research focus in recent years. In trapped ions quantum computers, entangling gates are performed by driving the normal modes of motion of the ion chain, generating a spin-dependent force. Even though there has been significant progress in increasing the robustness and modularity of these gates, they are still sensitive to noise in the intensity of the driving field. Here we supplement the conventional spin-dependent displacement with spin-dependent squeezing, which enables a gate that is robust to deviations in the amplitude of the driving field. We solve the general Hamiltonian and engineer its spectrum analytically. We also endow our gate with other, more conventional, robustness properties, making it resilient to many practical sources of noise and inaccuracies.

Many-body systems of quantum interacting particles in which time-reversal symmetry is broken give rise to a variety of rich collective behaviors, and are therefore a major target of research in modern physics. Quantum simulators can potentially be used to explore and understand such systems, which are often beyond the computational reach of classical simulation. Of these, platforms with universal quantum control can experimentally access a wide range of physical properties. However, simultaneously achieving strong programmable interactions, strong time-reversal symmetry breaking, and high fidelity quantum control in a scalable manner is challenging. Here we realized quantum simulations of interacting, time-reversal broken quantum systems in a universal trapped-ion quantum processor. Using a scalable scheme that was recently proposed we implemented time-reversal breaking synthetic gauge fields, shown for the first time in a trapped ion chain, along with unique coupling geometries, potentially extendable to simulation of multi dimensional systems. Our high fidelity single-site resolution in control and measurement, along with highly programmable interactions, allow us to perform full state tomography of a ground state showcasing persistent current, and to observe dynamics of a time-reversal broken system with nontrivial interactions. Our results open a path towards simulation of time-reversal broken many-body systems with a wide range of features and coupling geometries.

In recent years, arrays of atomic ions in a linear RF trap have proven to be a particularly successful platform for quantum simulation. However, a wide range of quantum models and phenomena have, so far, remained beyond the reach of such simulators. In this work we introduce a technique that can substantially extend this reach using an external field gradient along the ion chain and a global, uniform driving field. The technique can be used to generate both static and time-varying synthetic gauge fields in a linear chain of trapped ions, and enables continuous simulation of a variety of coupling geometries and topologies, including periodic boundary conditions and high dimensional Hamiltonians. We describe the technique, derive the corresponding effective Hamiltonian, propose a number of variations, and discuss the possibility of scaling to quantum-advantage sized simulators. Additionally, we suggest several possible implementations and briefly examine two: the Aharonov-Bohm ring and the frustrated triangular ladder.

We present an experimental scheme which combines the well established method of velocity-mapimaging, with a cold trapped metastable neon target. The device is used for obtaining the branching ratios and recoil-ion energy distributions for the penning ionization process in optical collisions of ultracold metastable neon. The potential depth of the highly excited dimer potential is extracted and compared with theoretical calculations. The simplicity to construct, characterize and apply such a device, makes it a unique tool for the low-energy nuclear physics community, enabling opportunities for precision measurements in beta- and beta-delayed-neutron decays of cold, trapped, short-lived radioactive isotopes.

Decay of bound states due to coupling with free particle states is a general phenomenon occurring at energy scales from MeV in nuclear physics to peV in ultracold atomic gases. Such a coupling gives rise to Fano-Feshbach resonances (FFR) that have become key to understanding and controlling interactions - in ultracold atomic gases, but also between quasiparticles such as microcavity polaritons. The energy positions of FFR were shown to follow quantum chaotic statistics. In contrast, lifetimes which are the fundamental property of a decaying state, have so far escaped a similarly comprehensive understanding. Here we show that a bound state, despite being resonantly coupled to a scattering state, becomes protected from decay whenever the relative phase is a multiple of $π$. We observe this phenomenon by measuring lifetimes spanning four orders of magnitude for FFR of spin-orbit excited molecular ions with merged beam and electrostatic trap experiments. Our results provide a blueprint for identifying naturally long-lived states in a decaying quantum system.

We present a scheme for deterministic ion-photon qubit exchange, namely a SWAP gate, based on realistic cavity-QED systems with 171Yb+, 40Ca+ and 138Ba+ ions. The gate can also serve as a single-photon quantum memory, in which an outgoing photon heralds the successful arrival of the incoming photonic qubit. Although strong coupling, namely having the single-photon Rabi frequency be the fastest rate in the system, is often assumed essential, this gate (similarly to the Duan-Kimble C-phase gate) requires only Purcell enhancement, i.e. high single-atom cooperativity. Accordingly, it does not require small mode volume cavities, which are challenging to incorporate with ions due to the difficulty of trapping them close to dielectric surfaces. Instead, larger cavities, potentially more compatible with the trap apparatus, are sufficient, as long as their numerical aperture is high enough to maintain small mode area at the ion's position. We define the optimal parameters for the gate's operation and simulate the expected fidelities and efficiencies, demonstrating that efficient photon-ion qubit exchange, a valuable building block for scalable quantum computation, is practically attainable with current experimental capabilities.

Tandem mass spectroscopy ($\textrm{MS}^2$) combined with single photon excitation in the VUV range (photon energy 4.5-9 eV) was performed on protonated uracil ($\textrm{UraH}^{+}$) and uridine ($\textrm{UrdH}^{+}$). The precursor ions with $m/z\;113$ and $m/z\;245$ respectively were produced by an Electrospray Ionization source (ESI) and accumulated inside a quadrupole ion trap mass spectrometer. After irradiation with tunable synchrotron radiation, product ion mass spectra were obtained. Fragment yields as a function of exciting energy show several maxima that can be attributed to the photo-excitation into different electronic states. For uracil, vertically excited states were calculated using the equation-of-motion coupled cluster approach (EOM-CCSD) and compared to the observed maxima. This allows to establish correlations between electronic states and resulting fragment masses and can thus help to disentangle the complex deexcitation and fragmentation pathways of nucleic acid building blocks above the first electronically excited state. Photofragmentation of the nucleoside uridine shows a significantly lower variety of fragments, indicating stabilization of the nucleobase by the attached sugar.

We put forward a quantum-optical model for a thermal diode based on heat transfer between two thermal baths through a pair of interacting qubits. We find that if the qubits are coupled by a Raman field that induces an anisotropic interaction, heat flow can become non-reciprocal and undergoes rectification even if the baths have equal dissipation rates and/or the qubits are resonant. The heat flow rectification is explained by four-wave mixing and Raman transitions between dressed states of the interacting qubits and are governed by a global master equation. The anisotropic two-qubit interaction is the key for this present simple quantum thermal diode, whose resonant operation allows for high-efficiency rectification of large heat currents. Effects of spatial overlap of the baths are addressed. We also discuss the possible realizations of the model system in various platforms including optomechanical systems, systems of trapped ions, and circuit QED.

A method is presented to monitor the internal energy distribution of cluster anions via delayed electron detachment by pulsed photoexcitation and demonstrated on Co$_4{}^-$ in an electrostatic ion beam trap. In cryogenic operation, we calibrate the detachment delay to internal energy. By laser frequency scans, at room temperature, we reconstruct the time-dependent internal energy distribution of the clusters. The mean energies of ensembles from a cold and a hot ion source both approach thermal equilibrium. Our data yield a radiative emission law and the absorptivity of the cluster for thermal radiation.

A novel experiment has been commissioned at the Weizmann Institute of Science for the study of weak interactions via a high-precision measurement of the beta-neutrino angular correlation in the radioactive decay of short-lived $^{6}$He. The facility consists of a 14 MeV $d+t$ neutron generator to produce atomic $^{6}$He, followed by ionization and bunching in an electron beam ion source, and injection into an electrostatic ion beam trap. This ion trap has been designed for efficient detection of the decay products from trapped light ions. The storage time in the trap for different stable ions was found to be in the range of 0.6 to 1.2 s at the chamber pressure of $\sim$7$\times$10$^{-10}$ mbar. We present the initial test results of the facility, and also demonstrate an important upgrade of an existing method \cite{stora} for production of light radioactive atoms, viz. $^{6}$He, for the precision measurement. The production rate of $^{6}$He atoms in the present setup has been estimated to be $\sim 1.45\times10^{-4}$ atoms per neutron, and the system efficiency was found to be 4.0$\pm$0.6\%. An improvement to this setup is also presented for the enhanced production and diffusion of radioactive atoms for future use.

Trapped radioactive atoms present exciting opportunities for the study of fundamental interactions and symmetries. For example, detecting beta decay in a trap can probe the minute experimental signal that originates from possible tensor or scalar terms in the weak interaction. Such scalar or tensor terms affect, e.g., the angular correlation between a neutrino and an electron in the beta-decay process, thus probing new physics of beyond-the-standard-model nature. The present system focuses on a novel use of an innovative ion trapping device, the Electrostatic Ion Beam Trap. Such a trap has not been previously considered for Fundamental Interaction studies and exhibits potentially very significant advantages over other schemes. These advantages include improved injection efficiency of the radionuclide under study, an extended field-free region, ion-beam kinematics for better efficiency and ease-of operation and the potential for a much larger solid angle for the electron and recoiling atom counters. The beta-decay of trapped 6He is discussed and preliminary Monte-Carlo (MC) simulation and error-analysis considerations are presented.

Whenever several quantum light emitters are brought in proximity with one another, their interaction with common electromagnetic fields couples them, giving rise to cooperative shifts in their resonance frequency. Such collective line shifts are central to modern atomic physics, being closely related to superradiance on one hand and the Lamb shift on the other. Although collective shifts have been theoretically predicted more than fifty years ago, the effect has not been observed yet in a controllable system of a few isolated emitters. Here, we report a direct spectroscopic observation of the cooperative shift of an optical electric dipole transition in a system of up to eight Sr ions suspended in a Paul trap. We study collective resonance shift in the previously unexplored regime of far-field coupling, and provide the first observation of cooperative effects in an array of quantum emitters. These results pave the way towards experimental exploration of cooperative emission phenomena in mesoscopic systems.

Recent years have seen the development of several experimental systems capable of tuning local parameters of quantum Hamiltonians. Examples include ultracold atoms, trapped ions, superconducting circuits, and photonic crystals. By design, these systems possess negligible disorder, granting them a high level of tunability. Conversely, electrons in conventional condensed matter systems exist inside an imperfect host material, subjecting them to uncontrollable, random disorder, which often destroys delicate correlated phases and precludes local tunability. The realization of a condensed matter system that is disorder-free and locally-tunable thus remains an outstanding challenge. Here, we demonstrate a new technique for deterministic creation of locally-tunable, ultra-low-disorder electron systems in carbon nanotubes suspended over circuits of unprecedented complexity. Using transport experiments we show that electrons can be localized at any position along the nanotube and that the confinement potential can be smoothly moved from location to location. Nearly perfect mirror symmetry of transport characteristics about the centre of the nanotube establishes the negligible effects of electronic disorder, thus allowing experiments in precision engineered one-dimensional potentials. We further demonstrate the ability to position multiple nanotubes at chosen separations, generalizing these devices to coupled one-dimensional systems. These new capabilities open the door to a broad spectrum of new experiments on electronics, mechanics, and spins in one dimension.

New high-resolution dissociative recombination rate coefficients of rotationally cool and hot H3+ in the vibrational ground state have been measured with a 22-pole trap setup and a Penning ion source, respectively, at the ion storage ring TSR. The experimental results are compared with theoretical calculations to explore the dependence of the rate coefficient on ion temperature and to study the contributions of different symmetries to probe the rich predicted resonance spectrum. The break-up energy was investigated by fragment imaging to derive internal temperatures of the stored parent ions under differing experimental conditions. A systematic experimental assessment of heating effects is performed which, together with a survey of other recent storage-ring data, suggests that the present rotationally cool rate-coefficient measurement was performed at 380^{+50}_{-130} K and that this is the lowest rotational temperature so far realized in storage-ring rate-coefficient measurements on H3+. This partially supports the theoretical suggestion that higher temperatures than assumed in earlier experiments are the main cause for the large gap between the experimental and theoretical rate coefficients. For the rotationally hot rate-coefficient measurement a temperature of below 3250K is derived. From these higher-temperature results it is found that increasing the rotational ion temperature in the calculations cannot fully close the gap between the theoretical and experimental rate coefficients.

Trapped radioactive atoms present exciting opportunities for the study of fundamental interactions and symmetries. For example, detecting beta decay in a trap can probe the minute experimental signal that originates from possible tensor or scalar terms in the weak interaction. Such scalar or tensor terms affect, e.g., the angular correlation between a neutrino and an electron in the beta-decay process, thus probing new physics of "beyond-the-standard-model" nature. In particular, this article focuses on a novel use of an innovative ion trapping device, the Electrostatic Ion Beam Trap (EIBT). Such a trap has not been previously considered for Fundamental Interaction studies and exhibits potentially very significant advantages over other schemes. These advantages include improved injection efficiency of the radionuclide under study, an extended field-free region, ion-beam kinematics for better efficiency and ease-of-operation and the potential for a much larger solid angle for the electron and recoiling atom counters.

The dissociative recombination of the lowest rotational states of H3+ has been investigated at the storage ring TSR using a cryogenic 22-pole radiofrequency ion trap as injector. The H3+ was cooled with buffer gas at ~15 K to the lowest rotational levels, (J,G)=(1,0) and (1,1), which belong to the ortho and para proton-spin symmetry, respectively. The rate coefficients and dissociation dynamics of H3+(J,G) populations produced with normal- and para-H2 were measured and compared to the rate and dynamics of a hot H3+ beam from a Penning source. The production of cold H3+ rotational populations was separately studied by rovibrational laser spectroscopy using chemical probing with argon around 55 K. First results indicate a ~20% relative increase of the para contribution when using para-H2 as parent gas. The H3+ rate coefficient observed for the para-H2 source gas, however, is quite similar to the H3+ rate for the normal-H2 source gas. The recombination dynamics confirm that for both source gases, only small populations of rotationally excited levels are present. The distribution of 3-body fragmentation geometries displays a broad part of various triangular shapes with an enhancement of ~12% for events with symmetric near-linear configurations. No large dependences on internal state or collision energy are found.

We propose a method which can effectively stabilize fixed points in the classical and quantum dynamics of a phase-sensitive chaotic system with feedback. It is based on feeding back a selected quantum sub-ensemble whose phase and amplitude stabilize the otherwise chaotic dynamics. Although the method is rather general, we apply it to realizations of the inherently chaotic Ikeda map. One suggested realization involves the Mach-Zender interferometer with Kerr nonlinearity. Another realization involves a trapped ion interacting with laser fields.

We propose a scheme which can effectively restore fixed points in the quantum dynamics of repeated Jaynes-Cummings interactions followed by atomic state measurements, when the interaction times fluctuate randomly. It is based on selection of superposed atomic states whose phase correlations tend to suppress the phase fluctuations of each separate state. One suggested realization involves the convergence of the cavity field distribution to a single Fock state by conditional measurements performed on two-level atoms with fluctuating velocities after they cross the cavity. Another realization involves a trapped ion whose internal-motional state coupling fluctuates randomly. Its motional state is made to converge to a Fock state by conditional measurements of the internal state of the ion.