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Gerischer Electrochemistry Today
Semiconductor photoelectrochemistry is a dynamic and interdisciplinary field at the forefront of research in solar fuels, energy conversion, and catalysis. Here, this Perspective captures the collective insights from the second Gerischer Electrochemistry Today Symposium, held at Colorado State University in Fort Collins, CO, in August 2024, which convened leading researchers, early-career scientists, and industry partners to define the critical next steps for the field. Through interactive sessions, technical talks, panel discussions, and training initiatives─including a Semiconductor Electrochemistry Bootcamp─the symposium emphasized three pillars of advancement: (i) facilitating the exchange of new ideas in semiconductor electrochemistry and charge separation; (ii) fostering the development of future researchers, research topics, and participation in the semiconductor workforce; and (iii) building community. This Energy Focus distills key themes from the meeting and identifies major knowledge gaps in the following areas: mechanisms of charge separation and recombination, role of defects and disorder, dynamic and operando characterization methods, interfacial chemistry and surface passivation, theoretical and modeling limitations, and standardization and benchmarking. The inclusive and collaborative structure of the symposium enabled the generation of this comprehensive report that will serve as a roadmap for fundamental and applied research in the rapidly evolving field of semiconductor electrochemistry over the next decade.
An updated nuclear-physics and multi-messenger astrophysics framework for binary neutron star mergers
The multi-messenger detection of the gravitational-wave signal GW170817, the corresponding kilonova AT2017gfo and the short gamma-ray burst GRB170817A, as well as the observed afterglow has delivered a scientific breakthrough. For an accurate interpretation of all these different messengers, one requires robust theoretical models that describe the emitted gravitational-wave, the electromagnetic emission, and dense matter reliably. In addition, one needs efficient and accurate computational tools to ensure a correct cross-correlation between the models and the observational data. For this purpose, we have developed the Nuclear-physics and Multi-Messenger Astrophysics framework NMMA. The code allows incorporation of nuclear-physics constraints at low densities as well as X-ray and radio observations of isolated neutron stars. In previous works, the NMMA code has allowed us to constrain the equation of state of supranuclear dense matter, to measure the Hubble constant, and to compare dense-matter physics probed in neutron-star mergers and in heavy-ion collisions, and to classify electromagnetic observations and perform model selection. Here, we show an extension of the NMMA code as a first attempt of analyzing the gravitational-wave signal, the kilonova, and the gamma-ray burst afterglow simultaneously. Incorporating all available information, we estimate the radius of a 1.4M ⊙ neutron star to be $R$ $=$ $11.98^{+0.35}_{-0.04}$ km.
Inferring three-nucleon couplings from multi-messenger neutron-star observations
Understanding the interactions between nucleons in dense matter is an important challenge in theoretical physics. Effective field theories have emerged as the dominant approach to address this problem at low energies, with many successful applications to the structure of nuclei and the properties of dense nucleonic matter. However, how far into the interior of neutron stars these interactions can describe dense matter is an open question. Here, we develop a framework that enables the inference of three-nucleon couplings in dense matter directly from astrophysical neutron star observations. We apply this formalism to the LIGO/Virgo gravitational-wave event GW170817 and the X-ray measurements from NASA’s Neutron Star Interior Composition Explorer and establish direct constraints for the couplings that govern three-nucleon interactions in chiral effective field theory. Furthermore, we demonstrate how next-generation observations of a population of neutron star mergers can offer stringent constraints on three-nucleon couplings, potentially at a level comparable to those from laboratory data. Our work directly connects the microscopic couplings in quantum field theories to macroscopic observations of neutron stars, providing a way to test the consistency between low-energy couplings inferred from terrestrial and astrophysical data.
Stringent constraints on neutron-star radii from multimessenger observations and nuclear theory
The properties of neutron stars are determined by the nature of the matter that they contain. These properties can be constrained by measurements of the star’s size. We obtain stringent constraints on neutron-star radii by combining multimessenger observations of the binary neutron-star merger GW170817 with nuclear theory that best accounts for density-dependent uncertainties in the equation of state. We construct equations of state constrained by chiral effective field theory and marginalize over these using the gravitational-wave observations. Combining this with the electromagnetic observations of the merger remnant that imply the presence of a short-lived hypermassive neutron star, we find that the radius of a 1.4 M⊙ neutron star is $R_{1.4M_⊙} = 11.0^{+0.9}_{-0.6} km$ (90% credible interval). Finally, using this constraint, we show that neutron stars are unlikely to be disrupted in neutron star–black hole mergers; subsequently, such events will not produce observable electromagnetic emission.
Constraining neutron-star matter with microscopic and macroscopic collisions
Interpreting high-energy, astrophysical phenomena, such as supernova explosions or neutron-star collisions, requires a robust understanding of matter at supranuclear densities. However, our knowledge about dense matter explored in the cores of neutron stars remains limited. Fortunately, dense matter is not probed only in astrophysical observations, but also in terrestrial heavy-ion collision experiments. Here we use Bayesian inference to combine data from astrophysical multi-messenger observations of neutron stars and from heavy-ion collisions of gold nuclei at relativistic energies with microscopic nuclear theory calculations to improve our understanding of dense matter. We find that the inclusion of heavy-ion collision data indicates an increase in the pressure in dense matter relative to previous analyses, shifting neutron-star radii towards larger values, consistent with recent observations by the Neutron Star Interior Composition Explorer mission. Our findings show that constraints from heavy-ion collision experiments show a remarkable consistency with multi-messenger observations and provide complementary information on nuclear matter at intermediate densities. This work combines nuclear theory, nuclear experiment and astrophysical observations, and shows how joint analyses can shed light on the properties of neutron-rich supranuclear matter over the density range probed in neutron stars.
Experimental demonstration of novel beam characterization using a polarizable X-band transverse deflection structure
The PolariX TDS (Polarizable X-Band Transverse Deflection Structure) is an innovative TDS-design operating in the X-band frequency-range. The design gives full control of the streaking plane, which can be tuned in order to characterize the projections of the beam distribution onto arbitrary transverse axes. This novel feature opens up new opportunities for detailed characterization of the electron beam. In this paper we present first measurements of the Polarix TDS at the FLASHForward beamline at DESY, including three-dimensional reconstruction of the charge-density distribution of the bunch and slice emittance measurements in both transverse directions. The experimental results open the path toward novel and more extensive beam characterization in the direction of multi-dimensional-beam-phase-space reconstruction.
What can neutron stars reveal about the equation of state of dense matter?
Neutron stars are astrophysical objects of extremes, reaching the highest densities we can observe in the cosmos, and probing matter under conditions that cannot be recreated in terrestrial experiments. In August 2017, the first neutron-star merger has been observed, which provided compelling evidence that these events are an important site for r-process nucleosynthesis. Furthermore, the gravitational-wave signal of such events might shed light upon the nature of strongly interacting matter in the neutron-star core. To understand these remarkable events, reliable nuclear physics input is essential. In this contribution, I explain how to use chiral effective field theory and advanced many-body methods to provide a consistent and systematic approach to strongly inter- acting systems from nuclei to neutron stars with controlled theoretical uncertainties. I will discuss recent results for the equation of state relevant for the nuclear astrophysics of neutron stars and neutron-star mergers.
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted.
Direct inference of nuclear equation-of-state parameters from gravitational-wave observations
The observation of neutron star mergers with gravitational waves (GWs) has provided a new method to constrain the dense-matter equation of state (EOS) and to better understand its nuclear physics. However, inferring nuclear microphysics from GW observations necessitates the sampling of EOS model parameters that serve as input for each EOS used during the GW data analysis. The sampling of the EOS parameters requires solving the Tolman–Oppenheimer–Volkoff (TOV) equations a large number of times—a process that slows down each likelihood evaluation in the analysis on the order of a few seconds. Here, we employ emulators for the TOV equations built using multilayer perceptron neural networks to enable direct inference of nuclear EOS parameters from GW strain data. Our emulators allow us to rapidly solve the TOV equations, taking in EOS parameters and outputting the associated tidal deformability of a neutron star in only a few tens of milliseconds. We implement these emulators in PyCBC to directly infer the EOS parameters using the event GW170817, providing posteriors on these parameters informed solely by GWs. We benchmark these runs against analyses performed using the full TOV solver and find that the emulators achieve speed ups of nearly two orders of magnitude, with negligible differences in the recovered posteriors. Additionally, we constrain the slope and curvature of the symmetry energy at the 90% upper credible interval to be $L$ sym ≲ 106 MeV and $K$ sym ≲ 26 MeV.
New ideas in constraining nuclear forces
In recent years, nuclear physics has benefited greatly from the development of powerful ab initio many-body methods and their combination with interactions from chiral effective field theory. With increasing computational power and continuous development of these methods, we are entering an era of precision nuclear physics. Indeed, uncertainties from nuclear Hamiltonians now dominate over uncertainties from many-body methods. This review summarizes the current status of, and future directions in, deriving and constraining nuclear Hamiltonians.
Horizons: nuclear astrophysics in the 2020s and beyond
Nuclear astrophysics is a field at the intersection of nuclear physics and astrophysics, which seeks to understand the nuclear engines of astronomical objects and the origin of the chemical elements. This white paper summarizes progress and status of the field, the new open questions that have emerged, and the tremendous scientific opportunities that have opened up with major advances in capabilities across an ever growing number of disciplines and subfields that need to be integrated. We take a holistic view of the field discussing the unique challenges and opportunities in nuclear astrophysics in regards to science, diversity, education, and the interdisciplinarity and breadth of the field. Clearly nuclear astrophysics is a dynamic field with a bright future that is entering a new era of discovery opportunities.
Tabulated equations of state from models informed by chiral effective field theory
Abstract We construct four equation of state (EoS) tables, tabulated over a range of temperatures, densities, and charge fractions, relevant for neutron star applications such as simulations of neutron star mergers. The EoS are computed from a relativistic mean-field theory constrained by the pure neutron matter EoS from chiral effective field theory, inferred properties of isospin-symmetric nuclear matter, and astrophysical observations of neutron star structure. To model nuclear matter at low densities, we attach an EoS that models inhomogeneous nuclear matter at arbitrary temperatures and charge fractions. The four EoS tables we develop are available from the CompOSE EoS repository https://compose.obspm.fr/eos/297 and gitlab.com/ahaber/qmc-rmf-tables .
Bayesian model selection for GRB 211211A through multiwavelength analyses
ABSTRACT Although GRB 211211A is one of the closest gamma-ray bursts (GRBs), its classification is challenging because of its partially inconclusive electromagnetic signatures. In this paper, we investigate four astrophysical scenarios as possible progenitors for GRB 211211A: a binary neutron star merger, a black hole–neutron star merger, a core-collapse supernova, and an r-process enriched core collapse of a rapidly rotating massive star (a collapsar). We perform a large set of Bayesian multiwavelength analyses based on different models describing these scenarios and priors to investigate which astrophysical scenarios and processes might be related to GRB 211211A. Our analysis supports previous studies in which the presence of an additional component, likely related to r-process nucleosynthesis, is required to explain the observed light curves of GRB 211211A, as it cannot be explained solely as a GRB afterglow. Fixing the distance to about $350~\rm Mpc$, namely the distance of the possible host galaxy SDSS J140910.47+275320.8, we find a statistical preference for a binary neutron star merger scenario.
Interface Modes in Inspiralling Neutron Stars: A Gravitational-Wave Probe of First-Order Phase Transitions
At the extreme densities in neutron stars, a phase transition to deconfined quark matter is anticipated. Yet masses, radii, and tidal deformabilities offer only indirect measures of a first-order phase transition, requiring many detections to resolve or being ineffective observables if the discontinuity exists at lower densities. Here, we report on a smoking-gun gravitational-wave signature of a first-order transition: the resonant tidal excitation of an interface mode. Using relativistic perturbation theory with an equation-of-state family informed by chiral effective field theory, we show that such a resonance may be detectable with next-generation interferometers and possibly already with LIGO A+ for sufficiently loud events.
Emulators for Scarce and Noisy Data: Application to Auxiliary-Field Diffusion Monte Carlo for Neutron Matter
Understanding the equation of state (EOS) of pure neutron matter is necessary for interpreting multimessenger observations of neutron stars. Reliable data analyses of these observations require well-quantified uncertainties for the EOS input, ideally propagating uncertainties from nuclear interactions directly to the EOS. This, however, requires calculations of the EOS for a prohibitively larger number of nuclear Hamiltonians, solving the nuclear many-body problem for each one. Quantum Monte Carlo methods, such as auxiliary-field diffusion Monte Carlo (AFDMC), provide precise and accurate results for the neutron matter EOS, but they are very computationally expensive, making them unsuitable for the fast evaluations necessary for uncertainty propagation. Here, we employ parametric matrix models to develop fast emulators for AFDMC calculations of neutron matter and use them to directly propagate uncertainties of coupling constants in the Hamiltonian to the EOS. As these uncertainties include estimates of the effective field theory truncation uncertainty, this approach provides robust uncertainty estimates for use in astrophysical data analyses. In conclusion, this Letter will enable novel applications such as using astrophysical observations to put constraints on coupling constants for nuclear interactions.
Direct astrophysical tests of chiral effective field theory at supranuclear densities
Recent observations of neutron stars with gravitational waves and X-ray timing provide unprecedented access to the equation of state (EoS) of cold dense matter at densities difficult to realize in terrestrial experiments. At the same time, predictions for the EoS equipped with reliable uncertainty estimates from chiral effective field theory ( x EFT) allow us to bound our theoretical ignorance. In this work, we analyze astrophysical data using a nonparametric representation of the neutron-star EoS conditioned on x EFT to directly constrain the underlying physical properties of the compact objects without introducing modeling systematics. We discuss how the data alone constrain the EoS at high densities when we condition on x EFT at low densities. Here, we also demonstrate how to exploit astrophysical data to directly test the predictions of x EFT for the EoS up to twice nuclear saturation density, in order to estimate the density at which these predictions might break down. We nd that the existence of massive pulsars, gravitational waves from GW170817, and NICER observations of PSR J0030+0451 favor x EFT predictions for the EoS up to nuclear saturation density over a more agnostic analysis by as much as a factor of 7 for the quantum Monte Carlo (QMC) calculations used in this work. While x EFT predictions using QMC are fully consistent with gravitational-wave data up to twice nuclear saturation density, NICER observations suggest that the EoS stiffens relative to these predictions at or slightly above nuclear saturation density. Additionally, for these QMC calculations, we marginalize over the uncertainty in the density at which x EFT begins to break down, constraining the radius of a 1.4M $\bigodot$ neutron star to R 1.4 = $11.40^{+1.38}_{–1.04}$ ($12.54^{+0.71}_{–0.63}$) km and the pressure at twice nuclear saturation density to p(2n sat ) = $14.2^{+18.1}_{–8.4}$ ($28.7^{+15.3}_{–15.0}$) MeV=fm 3 with massive pulsar and gravitational-wave (and NICER) data.
Constraints on the nuclear symmetry energy from asymmetric-matter calculations with chiral 𝑁𝑁 and 3𝑁 interactions
The nuclear symmetry energy is a key quantity in nuclear (astro)physics. It describes the isospin dependence of the nuclear equation of state, which is commonly assumed to be almost quadratic. Here, in this work, we confront this standard quadratic expansion of the equation of state with explicit asymmetric nuclear-matter calculations based on a set of commonly used Hamiltonians including two- and three-nucleon forces derived from chiral effective-field theory. We study, in particular, the importance of nonquadratic contributions to the symmetry energy, including the nonanalytic logarithmic term introduced by Kaiser [Phys. Rev. C 91, 065201 (2015)]. Our results suggest that the nonquadratic contribution to the symmetry energy can be systematically determined from the various Hamiltonians employed, and we obtain 0.74$^{+0.11}_{−0.08}$ MeV (or −1.02$^{+0.11}_{−0.08}$ MeV for the potential term with the effective-mass contribution) at nuclear saturation density, while the logarithmic contribution to the symmetry energy is relatively small and model-dependent. We also employ the meta-model approach to study the impact of the higher-order contributions on the neutron-star crust-core transition density, and find a 5% correction.