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We present the first demonstration of simultaneous phase space compression in two spatial dimensions of a positive muon beam, the first stage of the novel high-brightness muon beam under development by the muCool collaboration at the Paul Scherrer Institute. The keV-energy, sub-mm size beam would enable a factor 10$^5$ improvement in brightness for precision muSR, and atomic and particle physics measurements with positive muons. This compression is achieved within a cryogenic helium gas target with a strong density gradient, placed in a homogeneous magnetic field, under the influence of a complex electric field. In the next phase, the muon beam will be extracted into vacuum., Comment: Submission to SciPost

In electronic structure theory, variational computing offers a valuable paradigm for the approximation of electronic ground states. However, for historical reasons, this principle is mostly restricted to model-chemistries in pre-defined fixed basis sets. Especially in quantum computation, these model-chemistries are far from an accurate description of the initial electronic Hamiltonian. Throwing down the gauntlet, we here demonstrate a fully variational approach to the electronic structure problem by variationally optimizing the orbitals representing the second quantized Hamiltonian alongside a quantum circuit that generates the many-electron wavefunction. To this end, the orbitals are represented within an adaptive multi-wavelet format, guaranteeing numerical precision. We then showcase explicit numerical protocols and highlight the quantum circuit's effects on determining the optimal orbital basis.

The long-distance and non-local parts of the form factors describing the single-photon mediated $K_{S,L}\to\pi^0\gamma^*\to\pi^0\ell^+\ell^-$ ($\ell = e, \mu$) transitions in the standard model are addressed in QCD in the limit where the number $N_c$ of colours becomes infinite. It is shown that this provides a suitable theoretical framework to study these decay modes and that it allows to predict the decay rates for $K_{S}\to\pi^0\ell^+\ell^-$. It also unambiguously predicts that the interference between the direct and indirect CP-violating contributions to the decay rate for $K_L\to\pi^0 \ell^+ \ell^-$ is constructive., Comment: 8 pages

Verifying the integrity of embedded device characteristics is required to ensure secure operation of a device. One central challenge is to securely extract and store device-specific configurations for future verification. Existing device attestation schemes suffer from notable limitations, including a lack of standardization and a failure to encompass all hardware and software aspects inherent to a platform. This paper proposes an extension of the NSA Cybersecurity Directorate's Platform Attribute Certificate Creator (PACCOR) for the ESP32, a widely-used microcontroller series. Platform Attribute Certificates store device characteristics as per the Trusted Computing Group's Platform Certificate Profile. As of today, there is little research on hybrid attestation schemes utilizing Platform Attribute Certificates on embedded devices, which this work addresses. This paper presents a collection of attacks that can be detected using PACCOR4ESP. The toolkit extracts security-relevant information from an ESP32-S3, such as the firmware hash, bootloader hash, GPIO pin configuration, and a reference to the endorsement key of the secure element, and automatically embeds it into a Platform Attribute Certificate. Lastly, this work shows how PACCOR4ESP can be integrated with existing embedded device attestation frameworks, such as RAS, CRAFT, and SEDA.

We present a measurement-cost efficient implementation of Strongly-Contracted $N$-Electron Valence Perturbation Theory (SC-NEVPT2) for use on near-term quantum devices. At the heart of our algorithm we exploit the properties of adaptive Informationally Complete positive operator valued measures (IC-POVMs) to recycle the measurement outcomes from a ground state energy estimation on a quantum device to reconstruct the matrix elements of the three- and four-body reduced density matrices for use in a subsequent CPU-driven NEVPT2 calculation. The proposed scheme is capable of producing results in good agreement with corresponding conventional NEVPT2 simulations, while significantly reducing the cost of quantum measurements and allowing for embarrassingly parallel estimations of higher-order RDMs in classical post-processing. Our scheme shows favourable scaling of the total number of shots with respect to system size. This paves the way for routine inclusion of dynamic electron correlation effects in hybrid quantum-classical computing pipelines., Comment: 12 pages, 6 figures

Quantum chemistry simulations offer a cost-effective way for computational design of BODIPY photosensitizers with potential use in photodynamic therapy (PDT). However, accurate predictions of photophysical properties, such as excitation energies, pose a challenge for the popular time-dependent density functional theory (TDDFT) and equation-of-motion coupled cluster with singles and doubles (EOM-CCSD) methods. By contrast, reliable descriptions can be achieved by multi-reference quantum chemistry methods, though unfortunately, their computational cost grows exponentially with the number of correlated electrons. Alternatively, quantum computing holds a great potential for exact simulation of photophysical properties in a computationally more efficient way. To this end, we introduce the state-specific $\Delta$UCCSD-VQE (unitary coupled cluster with singles and doubles variational quantum eigensolver) and $\Delta$ADAPT-VQE methods in which the electronically excited state is calculated via a non-Aufbau electronic configuration. The accuracy and capability of the developed methods are assessed against experimentally determined excitation energies for six BODIPY-derivatives. We show that the proposed methods predict accurate vertical excitation energies that are not only in good agreement with experimental reference data but also outperform popular quantum chemistry methods, such as TDDFT and EOM-CCSD. Spurred by its impressive performance and simplicity, we are confident that $\Delta$ADAPT will emerge as the method of choice for guiding the rational design of photosensitizers for PDT and photocatalysis in the era of near-term quantum computing.

We test the performance of the Polarizable Embedding Variational Quantum Eigensolver Self-Consistent-Field (PE-VQE-SCF) model for computing electric field gradients with comparisons to conventional complete active space self-consistent-field (CASSCF) calculations and experimental results. We compute quadrupole coupling constants for ice VIII and ice IX. We find that the inclusion of the environment is crucial for obtaining results that match the experimental data. The calculations for ice VIII are within the experimental uncertainty for both CASSCF and VQE-SCF for oxygen and lie close to the experimental value for ice IX as well. With the VQE-SCF, which is based on an Adaptive Derivative-Assembled Problem-Tailored (ADAPT) ansatz, we find that the inclusion of the environment and the size of the different basis sets do not directly affect the gate counts. However, by including an explicit environment, the wavefunction and, therefore, the optimization problem becomes more complicated, which usually results in the need to include more operators from the operator pool, thereby increasing the depth of the circuit., Comment: 18 pages, 5 figures

The MONUMENT experiment measures ordinary muon capture (OMC) on isotopes relevant for neutrinoless double-beta (0$\nu\beta\beta$) decay and nuclear astrophysics. OMC is a particularly attractive tool for improving the theoretical description of 0$\nu\beta\beta$ decay. It involves similar momentum transfers and allows testing the virtual transitions involved in 0$\nu\beta\beta$ decay against experimental data. During the 2021 campaign, MONUMENT measured OMC on $^{76}$Se and $^{136}$Ba, the isotopes relevant for next-generation 0$\nu\beta\beta$ decay searches, like LEGEND and nEXO. The experimental setup has been designed to accurately extract the total and partial muon capture rates, which requires precise reconstruction of energies and time-dependent intensities of the OMC-related $\gamma$ rays. The setup also includes a veto counter system to allow selecting a clean sample of OMC events. This work provides a detailed description of the MONUMENT setup operated during the 2021 campaign, its two DAQ systems, calibration and analysis approaches, and summarises the achieved detector performance. Future improvements are also discussed., Comment: 18 pages, 20 figures, submitted to EPJC

A system of dispersive representations of the Omn\`es-Khuri-Treiman-Sawyer-Wali type for the final-state interactions in the amplitudes of the $K\to\pi\pi\pi$ weak transitions is constructed, under the assumptions that CP and isospin symmetries are conserved. Both the $\Delta I = 1/2$ and $\Delta I = 3/2$ transition channels are considered. The set of single-variable functions involved in these representations is identified, and the polynomial ambiguities in their definitions are discussed. Numerical solutions for the system of coupled integral relations satisfied by these functions are provided, and the determination of the subtraction constants in terms of the experimental information on the amplitudes in the decay region is addressed., Comment: 33 pages, 3 figures, Ancillary files:i) README.pdf ii) Numerical tables for the set of fundamental solutions of the integral equations iii) Numerical values of the S and P-wave $\pi \pi$ phase shifts

The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease the required circuit depth -- the number of applied gates -- to solve a given problem. This work demonstrates how to reduce circuit depth by combining the transcorrelated (TC) approach with adaptive quantum ans\"atze and their implementations in the context of variational quantum imaginary time evolution (AVQITE). The combined TC-AVQITE method is used to calculate ground state energies across the potential energy surfaces of H$_4$, LiH, and H$_2$O. In particular, H$_4$ is a notoriously difficult case where unitary coupled cluster theory, including singles and doubles excitations, fails to provide accurate results. Adding TC yields energies close to the complete basis set (CBS) limit while reducing the number of necessary operators -- and thus circuit depth -- in the adaptive ans\"atze. The reduced circuit depth furthermore makes our algorithm more noise-resilient and accelerates convergence. Our study demonstrates that combining the TC method with adaptive ans\"atze yields compact, noise-resilient, and easy-to-optimize quantum circuits that yield accurate quantum chemistry results close to the CBS limit.

Parahydrogen-Induced Polarization (PHIP) is a potent technique for generating target molecules with high nuclear spin polarization. The PHIP process involves a chemical reaction between parahydrogen and a target molecule, followed by the transformation of nuclear singlet spin order into magnetization of a designated nucleus through magnetic field manipulations. Although the singlet-to-magnetization polarization transfer process works effectively at moderate concentrations, it is observed to become much less efficient at high molar polarization, defined as the product of polarization and concentration. This strong dependence on the molar polarization is attributed to interference from the field produced by the sample's magnetization during polarization transfer, which leads to complex dynamics and can severely impact the scalability of the technique. We address this challenge with a pulse sequence that negates the influence of the distant dipolar field, while simultaneously achieving singlet-to-magnetization polarization transfer to the desired target spins, free from restrictions on the molar polarization.

We formulate and implement the Variational Quantum Eigensolver Self Consistent Field (VQE-SCF) algorithm in combination with polarizable embedding (PE), thereby extending PE to the regime of quantum computing. We test the resulting algorithm, PE-VQE-SCF, on quantum simulators and demonstrate that the computational stress on the quantum device is only slightly increased in terms of gate counts compared to regular VQE-SCF. On the other hand, no increase in shot noise was observed. We illustrate how PE-VQE-SCF may lead to the modeling of real chemical systems using a simulation of the reaction barrier of the Diels-Alder reaction between furan and ethene as an example., Comment: 19 pages, 5 figures, submitted to Journal of Chemical Physics

The QUARTET collaboration aims to significantly improve the precision of the absolute nuclear charge radii of light nuclei from Li to Ne by using an array of metallic magnetic calorimeters to perform high-precision X-ray spectroscopy of low-lying states in muonic atoms. A proof-of-principle measurement with lithium, beryllium and boron is planned for fall 2023 at the Paul Scherrer Institute. We discuss the performance achieved with the maXs-30 detector module to be used. To place the detector close to the target chamber where the muon beam will impact the material under study, we have developed a new dilution refrigerator sidearm. We further discuss the expected efficiency given the transparency of the X-ray windows and the quantum efficiency of the detector. The expected muonic X-ray rate combined with the high resolving power and detection efficiency of the detector suggest that QUARTET will be able to study the de-excitation of light muonic atoms at an unprecedented level, increasing the relative energy resolution by up to a factor of 20 compared to conventional detector techniques.

Kaon physics is at a turning point -- while the rare-kaon experiments NA62 and KOTO are in full swing, the end of their lifetime is approaching and the future experimental landscape needs to be defined. With HIKE, KOTO-II and LHCb-Phase-II on the table and under scrutiny, it is a very good moment in time to take stock and contemplate about the opportunities these experiments and theoretical developments provide for particle physics in the coming decade and beyond. This paper provides a compact summary of talks and discussions from the Kaons@CERN 2023 workshop., Comment: 55 pages, Summary of Kaons@CERN 23 workshop, references updated, typos fixed, version as published in EPJC

We propose an experiment to measure the nuclear charge radii of light elements with up to 20~times higher accuracy. These are essential both for understanding nuclear physics at low energies, and for experimental and theoretical applications in simple atomic systems. Such comparisons advance the understanding of bound-state quantum electrodynamics and are useful for searching for new physics beyond the Standard Model. The energy levels of muonic atoms are highly susceptible to nuclear structure, especially to the mean square charge radius. The radii of the lightest nuclei (with the atomic number, $Z=1,2$) have been determined with high accuracy using laser spectroscopy in muonic atoms, while those of medium mass and above were determined using X-ray spectroscopy with semiconductor detectors. In this communication, we present a new experiment, aiming to obtain precision measurements of the radii of light nuclei $3 \leq Z \leq 10$ using single-photon energy measurements with cryogenic microcalorimeters; a quantum-sensing technology capable of high efficiency with outstanding resolution for low-energy X-rays.

Nuclear quantum effects such as zero-point energy and hydrogen tunnelling play a central role in many biological and chemical processes. The nuclear-electronic orbital (NEO) approach captures these effects by treating selected nuclei quantum mechanically on the same footing as electrons. On classical computers, the resources required for an exact solution of NEO-based models grow exponentially with system size. By contrast, quantum computers offer a means of solving this problem with polynomial scaling. However, due to the limitations of current quantum devices, NEO simulations are confined to the smallest systems described by minimal basis sets whereas realistic simulations beyond the Born--Oppenheimer approximation require more sophisticated basis sets. For this purpose, we herein extend a hardware-efficient ADAPT-VQE method to the NEO framework in the frozen natural orbital (FNO) basis. We demonstrate on H$_2$ and D$_2$ molecules that the NEO-FNO-ADAPT-VQE method reduces the CNOT count by a several orders of magnitude relative to the NEO unitary coupled cluster method with singles and doubles (NEO-UCCSD) while maintaining the desired accuracy. This extreme reduction in the CNOT gate count is sufficient to permit practical computations employing the NEO method -- an important step toward accurate simulations involving non-classical nuclei and non--Born--Oppenheimer effects on near-term quantum devices. We further show that the method can capture isotope effects and we demonstrate that inclusion of correlation energy systematically improves the prediction of $\Delta$ZPE.

Automated active space selection is arguably one of the most challenging and essential aspects of multiconfigurational methods. In this work we propose an effective quantum information-assisted complete active space optimization (QICAS) scheme. What sets QICAS apart from other correlation-based selection schemes is (i) the use of unique measures from quantum information that assess the correlation in electronic structures in an unambiguous and predictive manner, and (ii) an orbital optimization step that minimizes the correlation discarded by the active space approximation. Equipped with these features QICAS yields for smaller correlated molecules sets of optimized orbitals with respect to which the CASCI energy reaches the corresponding CASSCF energy within chemical accuracy. For more challenging systems such as the Chromium dimer, QICAS offers an excellent starting point for CASSCF by greatly reducing the number of iterations required for numerical convergence. Accordingly, our study validates a profound empirical conjecture: the energetically optimal non-active spaces are predominantly those that contain the least entanglement., Comment: Close to published version

Biomimetic, dexterous robotic hands have the potential to replicate much of the tasks that a human can do, and to achieve status as a general manipulation platform. Recent advances in reinforcement learning (RL) frameworks have achieved remarkable performance in quadrupedal locomotion and dexterous manipulation tasks. Combined with GPU-based highly parallelized simulations capable of simulating thousands of robots in parallel, RL-based controllers have become more scalable and approachable. However, in order to bring RL-trained policies to the real world, we require training frameworks that output policies that can work with physical actuators and sensors as well as a hardware platform that can be manufactured with accessible materials yet is robust enough to run interactive policies. This work introduces the biomimetic tendon-driven Faive Hand and its system architecture, which uses tendon-driven rolling contact joints to achieve a 3D printable, robust high-DoF hand design. We model each element of the hand and integrate it into a GPU simulation environment to train a policy with RL, and achieve zero-shot transfer of a dexterous in-hand sphere rotation skill to the physical robot hand., Comment: for project website, see https://srl-ethz.github.io/get-ball-rolling/ . for video, see https://youtu.be/YahsMhqNU8o . for code, see https://github.com/srl-ethz/faive_gym_oss . Published to the 2023 IEEE-RAS International Conference on Humanoid Robots

The large physical size of superconducting qubits and their associated on-chip control structures presents a practical challenge towards building a large-scale quantum computer. In particular, transmons require a high-quality-factor shunting capacitance that is typically achieved by using a large coplanar capacitor. Other components, such as superconducting microwave resonators used for qubit state readout, are typically constructed from coplanar waveguides which are millimeters in length. Here we use compact superconducting through-silicon vias to realize lumped element capacitors in both qubits and readout resonators to significantly reduce the on-chip footprint of both of these circuit elements. We measure two types of devices to show that TSVs are of sufficient quality to be used as capacitive circuit elements and provide a significant reductions in size over existing approaches.

In recent years, there has been tremendous progress in the development of quantum computing hardware, algorithms and services leading to the expectation that in the near future quantum computers will be capable of performing simulations for natural science applications, operations research, and machine learning at scales mostly inaccessible to classical computers. Whereas the impact of quantum computing has already started to be recognized in fields such as cryptanalysis, natural science simulations, and optimization among others, very little is known about the full potential of quantum computing simulations and machine learning in the realm of healthcare and life science (HCLS). Herein, we discuss the transformational changes we expect from the use of quantum computation for HCLS research, more specifically in the field of cell-centric therapeutics. Moreover, we identify and elaborate open problems in cell engineering, tissue modeling, perturbation modeling, and bio-topology while discussing candidate quantum algorithms for research on these topics and their potential advantages over classical computational approaches., Comment: 6 figures

Hydrogen-like light muonic ions, in which one negative muon replaces all the electrons, are extremely sensitive probes of nuclear structure, because the large muon mass increases tremendously the wave function overlap with the nucleus. Using pulsed laser spectroscopy we have measured three 2S-2P transitions in the muonic helium-3 ion ($\mu^3$He$^+$), an ion formed by a negative muon and bare helium-3 nucleus. This allowed us to extract the Lamb shift $E(2P_{1/2}-2S_{1/2})= 1258.598(48)^{\rm exp}(3)^{\rm theo}$ meV, the 2P fine structure splitting $E_{\rm FS}^{\rm exp} = 144.958(114)$ meV, and the 2S-hyperfine splitting (HFS) $E_{\rm HFS}^{\rm exp} = -166.495(104)^{\rm exp}(3)^{\rm theo}$ meV in $\mu^3$He$^+$. Comparing these measurements to theory we determine the rms charge radius of the helion ($^3$He nucleus) to be $r_h$ = 1.97007(94) fm. This radius represents a benchmark for few nucleon theories and opens the way for precision tests in $^3$He atoms and $^3$He-ions. This radius is in good agreement with the value from elastic electron scattering, but a factor 15 more accurate. Combining our Lamb shift measurement with our earlier one in $\mu^4$He$^+$ we obtain $r_h^2-r_\alpha^2 = 1.0636(6)^{\rm exp}(30)^{\rm theo}$ fm$^2$ to be compared to results from the isotope shift measurements in regular He atoms, which are however affected by long-standing tensions. By comparing $E_{\rm HFS}^{\rm exp}$ with theory we also obtain the two-photon-exchange contribution (including higher orders) which is another important benchmark for ab-initio few-nucleon theories aiming at understanding the magnetic and current structure of light nuclei., Comment: 8 pages, 5 figures

As a toy model of chiral interactions in crowded spaces, we consider sphinx tilings in finite regions of the triangular lattice. The sphinx tiles, hexiamonds composed of six equilateral triangles in the shape of a stylized sphinx, come in left and right enantiomorphs. Regions scaled up from the unit sphinx by an integer factor ("Sphinx frames") require tiles of both chiral forms to produce tilings, including crystalline, quasicrystalline, and fully disordered tilings. For frames up to order 13, we describe methods that permit exact enumeration and computation of partition functions using "accelerated backtracking," "seam," and "dangler" algorithms. For larger frames, we introduce a Monte Carlo (MC) method to sample typical tilings. Key to the latter is the identification of fundamental shapes (polyads) that admit multiple tilings and which allow a rejection-free MC simulation., Comment: Earlier version was titled "Riddles of Sphinx Tilings."

Nuclear spin hyperpolarization techniques, such as dynamic nuclear polarization (DNP) and parahydrogen-induced polarization (PHIP), have revolutionized nuclear magnetic resonance and magnetic resonance imaging. In these methods, a readily available source of high spin order, either electron spins in DNP or singlet states in hydrogen for PHIP, is brought into close proximity with nuclear spin targets, enabling efficient transfer of spin order under external quantum control. Despite vast disparities in energy scales and interaction mechanisms between electron spins in DNP and nuclear singlet states in PHIP, a pseudo-spin formalism allows us to establish an intriguing equivalence. As a result, the important low-field polarization transfer regime of PHIP can be mapped onto an analogous system equivalent to pulsed-DNP. This establishes a correspondence between key polarization transfer sequences in PHIP and DNP, facilitating the transfer of sequence development concepts. This promises fresh insights and significant cross-pollination between DNP and PHIP polarization sequence developers., Comment: 11+5 pages, 5 figures