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We present an open-source simulation framework for optically detected magnetic resonance, developed in Python. The framework allows users to construct, manipulate, and evolve multipartite quantum systems that consist of spins and electronic levels. We provide an interface for efficient time-evolution in Lindblad form as well as a framework for facilitating simulation of spatial and generalized stochastic dynamics. Further, symbolic operator construction and propagation is supported for simple model systems making the framework also ideal for use in classroom instruction of magnetic resonance. Designed to be backend-agnostic, the library leverages existing Python libraries as computational backends. We introduce the most important functionality and illustrate the syntax on a series of examples. These include systems such as the nitrogen-vacancy center in diamond and photo-generated spin-correlated radical pairs for which our library offers system-specific sub-modules., Comment: For source code, documentation and virtual lab, see http://simos.kherb.io

The success of generative AI relies heavily on training on data scraped through extensive crawling of the Internet, a practice that has raised significant copyright, privacy, and ethical concerns. While few measures are designed to resist a resource-rich adversary determined to scrape a site, crawlers can be impacted by a range of existing tools such as robots.txt, NoAI meta tags, and active crawler blocking by reverse proxies. In this work, we seek to understand the ability and efficacy of today's networking tools to protect content creators against AI-related crawling. For targeted populations like human artists, do they have the technical knowledge and agency to utilize crawler-blocking tools such as robots.txt, and can such tools be effective? Using large scale measurements and a targeted user study of 182 professional artists, we find strong demand for tools like robots.txt, but significantly constrained by significant hurdles in technical awareness, agency in deploying them, and limited efficacy against unresponsive crawlers. We further test and evaluate network level crawler blockers by reverse-proxies, and find that despite very limited deployment today, their reliable and comprehensive blocking of AI-crawlers make them the strongest protection for artists moving forward., Comment: Under Submission

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research., Comment: Updating author information, the submission remains largely unchanged. 98 pages total

Quantum magnetometers based on spin defects in solids enable sensitive imaging of various magnetic phenomena, such as ferro- and antiferromagnetism, superconductivity, and current-induced fields. Existing protocols primarily focus on static fields or narrow-band dynamical signals, and are optimized for high sensitivity rather than fast time resolution. Here, we report detection of fast signal transients, providing a perspective for investigating the rich dynamics of magnetic systems. We experimentally demonstrate our technique using a single nitrogen-vacancy (NV) center magnetometer at room temperature, reaching a best-effort time resolution of 1.1 ns, an instantaneous bandwidth of 0.9 GHz, and a time-of-flight precision better than 20 ps. The time resolution can be extended to the picosecond range by use of on-chip waveguides. At these speeds, NV quantum magnetometers will become competitive with time-resolved synchrotron X-ray techniques. Looking forward, adding fast temporal resolution to the spatial imaging capability further promotes single-spin probes as powerful research tools in spintronics, mesoscopic physics, and nanoscale device metrology., Comment: 11 pages including methods

Between 2021 and 2023, crypto assets valued at over \$US2.6 billion were stolen via attacks on "bridges" -- decentralized services designed to allow inter-blockchain exchange. While the individual exploits in each attack vary, a single design flaw underlies them all: the lack of end-to-end value accounting in cross-chain transactions. In this paper, we empirically analyze 10 million transactions used by key bridges during this period. We show that a simple invariant that balances cross-chain inflows and outflows is compatible with legitimate use, yet precisely identifies every known attack (and several likely attacks) in this data. Further, we show that this approach is not only sufficient for post-hoc audits, but can be implemented in-line in existing bridge designs to provide generic protection against a broad array of bridge vulnerabilities., Comment: Currently under submission

Adiabatic quantum computation (AQC) is a well-established method to approximate the ground state of a quantum system. Actual AQC devices, known as quantum annealers, have certain limitations regarding the choice of target Hamiltonian. Specifically, the target system must arise from a quadratic unconstrained binary optimization (QUBO) problem. As the name suggests, QUBOs represent unconstrained problems, and the problem must fit within the dimensionality limits of the hardware solver. However, various approaches exist to decompose large QUBOs and encode constraints by penalizing infeasible solutions. Choosing the right penalization and decomposition techniques is problem-specific and cumbersome due to various degrees of freedom. In this work, we investigate these issues in the context of energy network re-dispatch problems. Such problems are paramount for sustainable and cost-effective energy systems and play a crucial role in the transition towards renewable energy sources. Our QUBO instances are derived from open data of the German energy network and our results are compared to baselines from an open-source energy network simulation, thereby fostering reproducibility. Our novel insights regarding the realization of inequality constraints, spatio-temporal state consistency, and problem decomposition highlight the potential of AQC for optimizing complex energy dispatch problems. This provides valuable insights for energy market stakeholders and researchers aiming to improve grid management and reduce carbon emissions.

A Lagrangian gravity-wave parameterization (MS-GWaM, Multi-Scale Gravity-Wave Model) that allows for fully transient wave-mean-flow interaction and horizontal propagation is applied to orographic gravity waves for the first time. Both linear and nonlinear mountain waves are modeled in idealized simulations within the pseudo-incompressible flow solver PincFlow. Two-dimensional flows over monochromatic orographies are considered, using MS-GWaM either in its fully transient implementation or in a steady-state implementation that represents classic mountain-wave parameterizations. Comparisons of wave-resolving simulations (not using MS-GWaM) and coarse-resolution simulations (using MS-GWaM) show that allowing for transience leads to a significantly more accurate forcing of the resolved mean flow. The model is able to reproduce the transient forcing of linearly generated mountain waves that slowly propagate upwards, in contrast to the instantaneous distribution of wave energy in classic parameterizations. At high altitudes, wave breaking induces a wind reversal that is captured by the transient model but inhibited in steady-state simulations, due to the assumption of critical level formation. This shows that transience can have a substantial impact in the interaction between mountain waves and mean flow., Comment: 42 pages, 12 figures. This work has been submitted to the Journal of the Atmospheric Sciences. Copyright in this work may be transferred without further notice

The workshop focused on the application of ANAs to particle physics keeping in mind the ultimate goal of a collider at the energy frontier (10\,TeV, e$^+$/e$^-$, e$^-$/e$^-$, or $\gamma\gamma$). The development of ANAs is conducted at universities and national laboratories worldwide. The community is thematically broad and diverse, in particular since lasers suitable for ANA research (multi-hundred-terawatt peak power, a few tens of femtosecond-long pulses) and acceleration of electrons to hundreds of mega electron volts to multi giga electron volts became commercially available. The community spans several continents (Europe, America, Asia), including more than 62 laboratories in more than 20 countries. It is among the missions of the ICFA-ANA panel to feature the amazing progress made with ANAs, to provide international coordination and to foster international collaborations towards a future HEP collider. The scope of this edition of the workshop was to discuss the recent progress and necessary steps towards realizing a linear collider for particle physics based on novel-accelerator technologies (laser or beam driven in plasma or structures). Updates on the relevant aspects of the European Strategy for Particle Physics (ESPP) Roadmap Process as well as of the P5 (in the US) were presented, and ample time was dedicated to discussions. The major outcome of the workshop is the decision for ALEGRO to coordinate efforts in Europe, in the US, and in Asia towards a pre-CDR for an ANA-based, 10\,TeV CM collider. This goal of this coordination is to lead to a funding proposal to be submitted to both EU and EU/US funding agencies. This document presents a summary of the workshop, as seen by the co-chairs, as well as short 'one-pagers' written by the presenters at the workshop., Comment: 72 pages

Shallow nitrogen-vacancy (NV) centers in diamond offer unique opportunities for studying photochemical reactions at the single-molecule level, such as the photogeneration of radical pairs in proximal molecules. A prerequesite for such experimental schemes is the detailed understanding of the charge and spin dynamics of NV centers exposed to the short-wavelength light required for photoexciting chemical species. Here, we measure and analyze the charge and spin dynamics of shallow NV centers under 445 nm (blue) and 375 nm (UV) illumination. With blue excitation, we observe a power-dependent charge-state preparation accompanied by modest preservation of spin initialization fidelity. Under UV excitation, we find a power-independent charge-state preparation and no spin polarization. We further observe an irreversible aging of NV centers under prolonged exposure to UV, and to a lesser extent, blue laser excitation, which we attribute to formation of new electronic trap states. This aging manifests itself in a reduced charge stability and spin contrast, and is detrimental to the NV sensing performance. We evaluate the prospects and limitations of NV centers for probing photogenerated radical pairs based on experimentally measured sensitivities following blue and UV excitation, and outline the design rules for possible sensing schemes., Comment: 23 pages and 16 pages supporting information

Scams -- fraudulent schemes designed to swindle money from victims -- have existed for as long as recorded history. However, the Internet's combination of low communication cost, global reach, and functional anonymity has allowed scam volumes to reach new heights. Designing effective interventions requires first understanding the context: how scammers reach potential victims, the earnings they make, and any potential bottlenecks for durable interventions. In this short paper, we focus on these questions in the context of cryptocurrency giveaway scams, where victims are tricked into irreversibly transferring funds to scammers under the pretense of even greater returns. Combining data from Twitter, YouTube and Twitch livestreams, landing pages, and cryptocurrency blockchains, we measure how giveaway scams operate at scale. We find that 1 in 1000 scam tweets, and 4 in 100,000 livestream views, net a victim, and that scammers managed to extract nearly \$4.62 million from just hundreds of victims during our measurement window., Comment: Appeared at IMC '24. Please cite the conference version

Optically active spin defects in solids offer promising platforms to investigate nuclear spin clusters with high sensitivity and atomic-site resolution. To leverage near-surface defects for molecular structure analysis in chemical and biological contexts using nuclear magnetic resonance (NMR), further advances in spectroscopic characterization of nuclear environments are essential. Here, we report Fourier spectroscopy techniques to improve localization and mapping of the testbed $^{13}\mathrm{C}$ nuclear spin environment of individual, shallow nitrogen-vacancy centers at room temperature. We use multidimensional spectroscopy, well-known from classical NMR, in combination with weak measurements of single-nuclear-spin precession. We demonstrate two examples of multidimensional NMR: (i) improved nuclear spin localization by separate encoding of the two hyperfine components along spectral dimensions and (ii) spectral editing of nuclear-spin pairs, including measurement of internuclear coupling constants. Our work adds important tools for the spectroscopic analysis of molecular structures by single-spin probes., Comment: 7 pages, 3 figures

In this work, we analyze to what extent actors target poorly-secured cloud storage buckets for attack. We deployed hundreds of AWS S3 honeybuckets with different names and content to lure and measure different scanning strategies. Actors exhibited clear preferences for scanning buckets that appeared to belong to organizations, especially commercial entities in the technology sector with a vulnerability disclosure program. Actors continuously engaged with the content of buckets by downloading, uploading, and deleting files. Most alarmingly, we recorded multiple instances in which malicious actors downloaded, read, and understood a document from our honeybucket, leading them to attempt to gain unauthorized server access.

The Internal wave Dissipation, Energy and Mixing (IDEMIX) model presents a novel way of parameterizing internal gravity waves in the atmosphere. Using a continuous full wave spectrum in the energy balance equation and integrating over all vertical wavenumbers and frequencies results in prognostic equations for the energy density of gravity waves in multiple azimuthal compartments. It includes their non-dissipative interaction with the mean flow, allowing for an evolving and local description of momentum flux and gravity wave drag. A saturation mechanism maintains the wave field within convective stability limits, and an energetically consistent closure for critical-layer effects controls how much wave flux propagates from the troposphere into the middle atmosphere. IDEMIX can simulate zonal gravity wave drag around the mesopause, similar to a traditional gravity wave parameterization and to a state-of-the-art wave ray tracing model in an atmospheric circulation model. In addition, IDEMIX shows a reversal of the gravity wave drag around the mesopause region due to changes in the momentum flux there. When compared to empirical model data, IDEMIX captures well the summer hemisphere flow reversal, the cold summer mesospheric pole and the alternate positive and negative structures in the meridional mean flow., Comment: 21 pages, 19 figures

Offloading is a popular way to overcome the resource and power constraints of networked embedded devices, which are increasingly found in industrial environments. It involves moving resource-intensive computational tasks to a more powerful device on the network, often in close proximity to enable wireless communication. However, many Industrial Internet of Things (IIoT) applications have real-time constraints. Offloading such tasks over a wireless network with latency uncertainties poses new challenges. In this paper, we aim to better understand these challenges by proposing a system architecture and scheduler for real-time task offloading in wireless IIoT environments. Based on a prototype, we then evaluate different system configurations and discuss their trade-offs and implications. Our design showed to prevent deadline misses under high load and network uncertainties and was able to outperform a reference scheduler in terms of successful task throughput. Under heavy task load, where the reference scheduler had a success rate of 5%, our design achieved a success rate of 60%., Comment: 2nd International Workshop on Middleware for the Edge (MiddleWEdge '23). 2023. ACM

The interaction between small-scale waves and a larger-scale flow can be described by a multi-scale theory that forms the basis for a new class of parameterizations of subgrid-scale gravity waves (GW) in weather and climate models. The development of this theory is reviewed here. It applies to all interesting regimes of atmospheric stratification, i.e. also to moderately strong stratification as occurring in the middle atmosphere, and thereby extends classic assumptions for the derivation of quasi-geostrophic theory. At strong wave amplitudes a fully nonlinear theory arises that is complemented by a quasilinear theory for weak GW amplitudes. The latter allows the extension to a spectral description that forms the basis of numerical implementations that avoid instabilities due to caustics, e.g. from GW reflection. Conservation properties are discussed, for energy and potential vorticity, as well as conditions under which a GW impact on the larger-scale flow is possible. The numerical implementation of the theory for GW parameterizations in atmospheric models is described, and the consequences of the approach are discussed, as compared to classic GW parameterizations. Although more costly than the latter, it exhibits significantly enhanced realism, while being considerably more efficient than an approach where all relevant GWs are to be resolved. The reported theory and its implementation might be of interest also for the efficient and conceptually insightful description of other wave-mean interactions, including those where the formation of caustics presents a special challenge., Comment: 11 pages, 1 figure, submitted to J. Math.Phys

Although internal gravity waves are generally recognized as an important mechanism to distribute energy through the atmosphere, their dynamics near the instability is only partially understood to date. Many types of instabilities, notably the classical modulational instability, a novel point spectrum modulational instability, the triadic resonant instability, the shear instability and the static instability have been studied mostly in idealized settings and mostly isolated from one another. Here, we identify the instability cascade of a quasi one-dimensional and stationary internal gravity wave modulated by a vertically sheared mean flow. We find indicators of various interdependent instability mechanisms which partly compete for dominance and partly follow one another. A key finding is that the particular dynamics of the local cascade depends on the sign of the background shear., Comment: 18 pages, 6 figures, submitted to Geophysical & Astrophysical Fluid Dynamics

In climate modelling, the reality of simulated flows in the middle atmosphere is largely affected by the model's representation of gravity wave processes that are unresolved, while these processes are usually simplified to facilitate computations. The simplification commonly applied in existing climate models is to neglect wave propagation in horizontal direction and time. Here we use a model that fully represents the propagation of unresolved waves in all directions, thereby elucidating its dynamical effect upon the most important climate mode in the tropical stratosphere, namely the quasi-biennial oscillation. Our simulation shows that the waves at the equatorial stratosphere, which are known to drive this climate mode, can originate far away from the equator in the troposphere. The waves propagating obliquely toward the equator are found to play a huge role in the phase progression of the quasi-biennial oscillation as well as in its penetration into the lower stratosphere. Such waves will require further attention, given that current climate models are struggling to simulate the quasi-biennial oscillation down to the lower stratosphere, which may be needed to reproduce its observed impacts on the surface climate., Comment: Final version published in Atmos. Chem. Phys

Parametrizations for internal gravity waves in atmospheric models are traditionally subject to a number of simplifications. Most notably, they rely on both neglecting wave propagation and advection in the horizontal direction (single-column assumption) and an instantaneous balance in the vertical direction (steady-state assumption). While these simplifications are well justified to cover some essential dynamic effects and keep the computational effort small it has been shown that both mechanisms are potentially significant. In particular, the recently introduced Multiscale Gravity Wave Model (MS-GWaM) successfully applied ray tracing methods in a novel type of transient but columnar internal gravity wave parameterization (MS-GWaM-1D). We extend this concept to a three-dimensional version of the parameterization (MS-GWaM-3D) to simulate subgrid-scale non-orographic internal gravity waves. The resulting global wave model -- implemented into the weather-forecast and climate code ICON -- contains three-dimensional transient propagation with accurate flux calculations, a latitude-dependent background source, and convectively generated waves. MS-GWaM-3D helps reproducing expected temperature and wind patterns in the mesopause region in the climatological zonal mean state and thus proves a viable IGW parameterization. Analyzing the global wave action budget, we find that horizontal wave propagation is as important as vertical wave propagation. The corresponding wave refraction includes previously missing but well-known effects such as wave refraction into the polar jet streams. On a global scale, three-dimensional wave refraction leads to a horizontal flow-dependent redistribution of waves such that the structures of the zonal mean wave drag and consequently the zonal mean winds are modified., Comment: Revised version after major revisions in peer review; This Work has been submitted to the Journal of Atmospheric Sciences. Copyright in this Work may be transferred without further notice

IEC 60848 GRAFCET is a standardized, graphical specification language for control functions. Because of the semiformal nature of IEC 60848, the details of specifications created with GRAFCET can be interpreted in different ways, possibly leading to faulty implementations. These ambiguities have been partially addressed in existing literature, but solved in different manners. Based on a literature review, this work aims at providing an overview of existing interpretations and, based on that, proposes a comprehensive interpretation algorithm for IEC 60848, which takes all relevant ambiguities from the literature review into account., Comment: \c{opyright} 2023 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works

The graphical modeling language GRAFCET is used as a formal specification language in industrial control design. This paper proposes a structural analysis that approximates the variable values of GRAFCET to allow verification on specification level. GRAFCET has different elements resulting in concurrent behavior, which in general results in a large state space for analyses like model checking. The proposed analysis approach approximates that state space and takes into consideration the entire set of GRAFCET elements leading to concurrent behavior. The analysis consists of two parts: We present an algorithm analyzing concurrent steps to approximate the step variables and we adapt analysis means from the field of Petri nets to approximate internal and output variables. The proposed approach is evaluated using an industrial-sized example to demonstrate that the analysis is capable of verifying behavioral errors and is not limited by the specification size of practical plants., Comment: \c{opyright} 2023 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works

Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines.

The graphical modeling language GRAFCET is used as a formal specification language in industrial control design. This paper proposes a static analysis approach based on the control flow of GRAFCET using abstract interpretation to allow verification on specification level. GRAFCET has different elements leading to concurrent behavior, which in general results in a large state space. To get precise results and reduce the state space, we propose an analysis suitable for GRAFCET instances without concurrent behavior. We point out how to check for the absence of concurrency and present a flow-sensitive analysis for these GRAFCET instances. The proposed approach is evaluated on an industrial-sized example., Comment: \c{opyright} 2023 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works

Surface damage caused by ionizing radiation in SiO$_2$ passivated silicon particle detectors consists mainly of the accumulation of a positively charged layer along with trapped-oxide-charge and interface traps inside the oxide and close to the Si/SiO$_2$-interface. High density positive interface net charge can be detrimental to the operation of a multi-channel $n$-on-$p$ sensor since the inversion layer generated under the Si/SiO$_2$-interface can cause loss of position resolution by creating a conduction channel between the electrodes. In the investigation of the radiation-induced accumulation of oxide charge and interface traps, a capacitance-voltage characterization study of n/$\gamma$- and $\gamma$-irradiated Metal-Oxide-Semiconductor (MOS) capacitors showed that close agreement between measurement and simulation were possible when oxide charge density was complemented by both acceptor- and donor-type deep interface traps with densities comparable to the oxide charges. Corresponding inter-strip resistance simulations of a $n$-on-$p$ sensor with the tuned oxide charge density and interface traps show close agreement with experimental results. The beneficial impact of radiation-induced accumulation of deep interface traps on inter-electrode isolation may be considered in the optimization of the processing parameters of isolation implants on $n$-on-$p$ sensors for the extreme radiation environments., Comment: Corresponding author: T. Peltola. 24 pages, 17 figures, 6 tables

Nonnegativity certificates can be used to obtain tight dual bounds for polynomial optimization problems. Hierarchies of certificate-based relaxations ensure convergence to the global optimum, but higher levels of such hierarchies can become very computationally expensive, and the well-known sums of squares hierarchies scale poorly with the degree of the polynomials. This has motivated research into alternative certificates and approaches to global optimization. We consider sums of nonnegative circuit polynomials (SONC) certificates, which are well-suited for sparse problems since the computational cost depends on the number of terms in the polynomials and does not depend on the degrees of the polynomials. We propose a method that guarantees that given finite variable domains, a SONC relaxation will yield a finite dual bound. This method opens up a new approach to utilizing variable bounds in SONC-based methods, which is particularly crucial for integrating SONC relaxations into branch-and-bound algorithms. We report on computational experiments with incorporating SONC relaxations into the spatial branch-and-bound algorithm of the mixed-integer nonlinear programming framework SCIP. Applying our strengthening method increases the number of instances where the SONC relaxation of the root node yielded a finite dual bound from 9 to 330 out of 349 instances in the test set.

The critical role played by email has led to a range of extension protocols (e.g., SPF, DKIM, DMARC) designed to protect against the spoofing of email sender domains. These protocols are complex as is, but are further complicated by automated email forwarding -- used by individual users to manage multiple accounts and by mailing lists to redistribute messages. In this paper, we explore how such email forwarding and its implementations can break the implicit assumptions in widely deployed anti-spoofing protocols. Using large-scale empirical measurements of 20 email forwarding services (16 leading email providers and four popular mailing list services), we identify a range of security issues rooted in forwarding behavior and show how they can be combined to reliably evade existing anti-spoofing controls. We further show how these issues allow attackers to not only deliver spoofed email messages to prominent email providers (e.g., Gmail, Microsoft Outlook, and Zoho), but also reliably spoof email on behalf of tens of thousands of popular domains including sensitive domains used by organizations in government (e.g., state.gov), finance (e.g., transunion.com), law (e.g., perkinscoie.com) and news (e.g., washingtonpost.com) among others., Comment: The paper appeared at the 8th IEEE European Symposium on Security and Privacy

Photoexcitable donor-bridge-acceptor (D-B-A) molecules that support intramolecular charge transfer are ideal platforms to probe the influence of chiral-induced spin selectivity (CISS) in electron transfer and resulting radical pairs. In particular, the extent to which CISS influences spin polarization or spin coherence in the initial state of spin-correlated radical pairs following charge transfer through a chiral bridge remains an open question. Here, we introduce a quantum sensing scheme to measure directly the hypothesized spin polarization in radical pairs using shallow nitrogen-vacancy (NV) centers in diamond at the single- to few-molecule level. Importantly, we highlight the perturbative nature of the electron spin-spin dipolar coupling within the radical pair, and demonstrate how Lee-Goldburg decoupling can preserve spin polarization in D-B-A molecules for enantioselective detection by a single NV center. The proposed measurements will provide fresh insight into spin selectivity in electron transfer reactions., Comment: 7 pages and 4 pages appendix including an extensive description of the initial spin state of photo-generated radical pairs

Certificates of polynomial nonnegativity can be used to obtain tight dual bounds for polynomial optimization problems. We consider Sums of Nonnegative Circuit (SONC) polynomials certificates, which are well suited for sparse problems since the computational cost depends only on the number of terms in the polynomials and does not depend on the degrees of the polynomials. This work is a first step to integrating SONC-based relaxations of polynomial problems into a branch-and-bound algorithm. To this end, the SONC relaxation for constrained optimization problems is extended in order to better utilize variable bounds, since this property is key for the success of a relaxation in the context of branch-and-bound. Computational experiments show that the proposed extension is crucial for making the SONC relaxations applicable to most constrained polynomial optimization problems and for integrating the two approaches., Comment: 4 pages, 0 figures, published in proceedings of the Hungarian Global Optimization Workshop HUGO 2022