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Emulators for low-energy nuclear physics can provide fast & accurate predictions of bound-state and scattering observables for applications that require repeated calculations with different parameters, such as Bayesian uncertainty quantification. In this paper, we extend a scattering emulator based on the Kohn variational principle (KVP) to momentum space (including coupled channels) with arbitrary boundary conditions, which enable the mitigation of spurious singularities known as Kohn anomalies. We test it on a modern chiral nucleon-nucleon (NN) interaction, including emulation of the coupled channels. We provide comparisons between a Lippmann-Schwinger equation emulator and our KVP momentum-space emulator for a representative set of neutron-proton (np) scattering observables, and also introduce a quasi-spline-based approach for the KVP-based emulator. Our findings show that while there are some trade-offs between accuracy and speed, all three emulators perform well. Self-contained Jupyter notebooks that generate the results and figures in this paper are publicly available., 18 pages, 15 figures, matches published version

The field of model order reduction (MOR) is growing in importance due to its ability to extract the key insights from complex simulations while discarding computationally burdensome and superfluous information. We provide an overview of MOR methods for the creation of fast & accurate emulators of memory- and compute-intensive nuclear systems. As an example, we describe how "eigenvector continuation" is a special case of a much more general and well-studied MOR formalism for parameterized systems. We continue with an introduction to the Ritz and Galerkin projection methods that underpin many such emulators, while pointing to the relevant MOR theory and its successful applications along the way. We believe that this will open the door to broader applications in nuclear physics and facilitate communication with practitioners in other fields., 13 pages. Added table and minor changes

In this contribution to the special issue “Celebrating 30 years of Steven Weinberg’s papers on Nuclear Forces from Chiral Lagrangians,” we emphasize the important role chiral effective field theory has played in leading nuclear physics into a precision era. To this end, we share our perspective on a few of the recent advances made in ab initio calculations of nuclear structure and nuclear matter observables, as well as Bayesian uncertainty quantification of effective field theory truncation errors.

We discuss high-order calculations in perturbative effective field theory for fermions at low energy scales. The Fermi-momentum or $k_{\rm F} a_s$ expansion for the ground-state energy of the dilute Fermi gas is calculated to fourth order, both in cutoff regularization and in dimensional regularization. For the case of spin one-half fermions we find from a Bayesian analysis that the expansion is well-converged at this order for ${| k_{\rm F} a_s | \lesssim 0.5}$. Further, we show that Pad{\'e}-Borel resummations can improve the convergence for ${| k_{\rm F} a_s | \lesssim 1}$. Our results provide important constraints for nonperturbative calculations of ultracold atoms and dilute neutron matter., Comment: 18 pages, 5 figures, minor changes, published version

We combine equation of state of dense matter up to twice nuclear saturation density ($n_{\rm sat}=0.16\, \text{fm}^{-3}$) obtained using chiral effective field theory ($��$EFT), and recent observations of neutron stars to gain insights about the high-density matter encountered in their cores. A key element in our study is the recent Bayesian analysis of correlated EFT truncation errors based on order-by-order calculations up to next-to-next-to-next-to-leading order in the $��$EFT expansion. We refine the bounds on the maximum mass imposed by causality at high densities, and provide stringent limits on the maximum and minimum radii of $\sim1.4\,{\rm M}_{\odot}$ and $\sim2.0\,{\rm M}_{\odot}$ stars. Including $��$EFT predictions from $n_{\rm sat}$ to $2\,n_{\rm sat}$ reduces the permitted ranges of the radius of a $1.4\,{\rm M}_{\odot}$ star, $R_{1.4}$, by $\sim3.5\, \text{km}$. If observations indicate $R_{1.4}1/2$ for densities above $2\,n_{\rm sat}$, or that $��$EFT breaks down below $2\,n_{\rm sat}$. We also comment on the nature of the secondary compact object in GW190814 with mass $\simeq 2.6\,{\rm M}_{\odot}$, and discuss the implications of massive neutron stars $>2.1 \,{\rm M}_{\odot}\,(2.6\,{\rm M}_{\odot})$ in future radio and gravitational-wave searches. Some form of strongly interacting matter with $c^2_{s}>0.35\, (0.55)$ must be realized in the cores of such massive neutron stars. In the absence of phase transitions below $2\,n_{\rm sat}$, the small tidal deformability inferred from GW170817 lends support for the relatively small pressure predicted by $��$EFT for the baryon density $n_{\rm B}$ in the range $1-2\,n_{\rm sat}$. Together they imply that the rapid stiffening required to support a high maximum mass should occur only when $n_{\rm B} \gtrsim 1.5-1.8\,n_{\rm sat}$., 26 pages, 17 figures; accepted for publication in PRC, appendices and references updated

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. 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 $0.{74}_{\ensuremath{-}0.08}^{+0.11}$ MeV (or $\ensuremath{-}1.{02}_{\ensuremath{-}0.08}^{+0.11}$ 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.

We combine Newton's variational method with ideas from eigenvector continuation to construct a fast & accurate emulator for two-body scattering observables. The emulator will facilitate the application of rigorous statistical methods for interactions that depend smoothly on a set of free parameters. Our approach begins with a trial $K$ or $T$ matrix constructed from a small number of exact solutions to the Lippmann--Schwinger equation. Subsequent emulation only requires operations on small matrices. We provide several applications to short-range potentials with and without the Coulomb interaction and partial-wave coupling. It is shown that the emulator can accurately extrapolate far from the support of the training data. When used to emulate the neutron-proton cross section with a modern chiral interaction as a function of 26 free parameters, it reproduces the exact calculation with negligible error and provides an over 300x improvement in CPU time., 9 pages, 6 figures; minor updates, close to published version

Born in the aftermath of core collapse supernovae, neutron stars contain matter under extraordinary conditions of density and temperature that are difficult to reproduce in the laboratory. In recent years, neutron star observations have begun to yield novel insights into the nature of strongly interacting matter in the high-density regime where current theoretical models are challenged. At the same time, chiral effective field theory has developed into a powerful framework to study nuclear matter properties with quantified uncertainties in the moderate-density regime for modeling neutron stars. In this article, we review recent developments in chiral effective field theory and focus on many-body perturbation theory as a computationally efficient tool for calculating the properties of hot and dense nuclear matter. We also demonstrate how effective field theory enables statistically meaningful comparisons between nuclear theory predictions, nuclear experiments, and observational constraints on the nuclear equation of state., Comment: additional references and minor improvements; 31 pages, 8 figures; invited review prepared for Annu. Rev. Nucl. Part. Sci. (2021)

We construct an efficient emulator for two-body scattering observables using the general (complex) Kohn variational principle and trial wave functions derived from eigenvector continuation. The emulator simultaneously evaluates an array of Kohn variational principles associated with different boundary conditions, which allows for the detection and removal of spurious singularities known as Kohn anomalies. When applied to the $K$-matrix only, our emulator resembles the one constructed by Furnstahl et al. [Phys. Lett. B 809, 135719] although with reduced numerical noise. After a few applications to real potentials, we emulate differential cross sections for $^{40}$Ca$(n,n)$ scattering based on a realistic optical potential and quantify the model uncertainties using Bayesian methods. These calculations serve as a proof of principle for future studies aimed at improving optical models., Comment: 12 pages, 4 figures, 1 table; minor improvements, close to published version

We introduce a new framework for quantifying correlated uncertainties of the infinite-matter equation of state derived from chiral effective field theory ($\chi$EFT). Bayesian machine learning via Gaussian processes with physics-based hyperparameters allows us to efficiently quantify and propagate theoretical uncertainties of the equation of state, such as $\chi$EFT truncation errors, to derived quantities. We apply this framework to state-of-the-art many-body perturbation theory calculations with nucleon-nucleon and three-nucleon interactions up to fourth order in the $\chi$EFT expansion. This produces the first statistically robust uncertainty estimates for key quantities of neutron stars. We give results up to twice nuclear saturation density for the energy per particle, pressure, and speed of sound of neutron matter, as well as for the nuclear symmetry energy and its derivative. At nuclear saturation density the predicted symmetry energy and its slope are consistent with experimental constraints., Comment: 7 pages, 2 figures, supplemental material; close to the published version; minor corrections and additional discussion of correlations in supplemental material; Jupyter notebooks for reproducing the results and figures can be found at https://buqeye.github.io/software/

We perform statistically rigorous uncertainty quantification (UQ) for chiral effective field theory ($\chi$EFT) applied to infinite nuclear matter up to twice nuclear saturation density. The equation of state (EOS) is based on high-order many-body perturbation theory calculations with nucleon-nucleon and three-nucleon interactions up to fourth order in the $\chi$EFT expansion. From these calculations our newly developed Bayesian machine-learning approach extracts the size and smoothness properties of the correlated EFT truncation error. We then propose a novel extension that uses multitask machine learning to reveal correlations between the EOS at different proton fractions. The inferred in-medium $\chi$EFT breakdown scale in pure neutron matter and symmetric nuclear matter is consistent with that from free-space nucleon-nucleon scattering. These significant advances allow us to provide posterior distributions for the nuclear saturation point and propagate theoretical uncertainties to derived quantities: the pressure and incompressibility of symmetric nuclear matter, the nuclear symmetry energy, and its derivative. Our results, which are validated by statistical diagnostics, demonstrate that an understanding of truncation-error correlations between different densities and different observables is crucial for reliable UQ. The methods developed here are publicly available as annotated Jupyter notebooks., Comment: 23 pages, 21 figures, 4 tables, supplemental material; close to the published version; minor corrections and additional table summarizing the main results; Jupyter notebooks for reproducing the results and figures can be found at https://buqeye.github.io/software/

Exascale computing could soon enable a predictive theory of nuclear structure and reactions rooted in the Standard Model, with quantifiable and systematically improvable uncertainties. Such a predictive theory will help exploit experiments that use nucleons and nuclei as laboratories for testing the Standard Model and its limitations. Examples include direct dark matter detection, neutrinoless double beta decay, and searches for permanent electric dipole moments of the neutron and atoms. It will also help connect QCD to the properties of cold neutron stars and hot supernova cores. We discuss how a quantitative bridge between QCD and the properties of nuclei and nuclear matter will require a synthesis of lattice QCD (especially as applied to two- and three-nucleon interactions), effective field theory, and ab initio methods for solving the nuclear many-body problem. While there are significant challenges that must be addressed in developing this triad of theoretical tools, the rapid advance of computing is accelerating progress. In particular, we focus this review on the anticipated advances from lattice QCD and how these advances will impact few-body effective theories of nuclear physics by providing critical input, such as constraints on unknown low-energy constants of the effective (field) theories. We also review particular challenges that must be overcome for the successful application of lattice QCD for low-energy nuclear physics. We describe progress in developing few-body effective (field) theories of nuclear physics, with an emphasis on HOBET, a non-relativistic effective theory of nuclear physics, which is less common in the literature. We use the examples of neutrinoless double beta decay and the nuclear-matter equation of state to illustrate how the coupling of lattice QCD to effective theory might impact our understanding of symmetries and exotic astrophysical environments., Comment: v3: version published in Progress in Particle and Nuclear Physics; v2: updated manuscript based upon community feedback and referee comments. Also, substantially re-written section on two-nucleon lattice QCD controversy. 53.5 pages plus a "few more" references; v1: Contribution to: The tower of effective (field) theories and the emergence of nuclear phenomena; 47 pages plus a "few" references

We study ground-state energies and charge radii of closed-shell medium-mass nuclei based on novel chiral nucleon-nucleon (NN) and three-nucleon (3N) interactions, with a focus on exploring the connections between finite nuclei and nuclear matter. To this end, we perform in-medium similarity renormalization group (IM-SRG) calculations based on chiral interactions at next-to-leading order (NLO), N$^2$LO, and N$^3$LO, where the 3N interactions at N$^2$LO and N$^3$LO are fit to the empirical saturation point of nuclear matter and to the triton binding energy. Our results for energies and radii at N$^2$LO and N$^3$LO overlap within uncertainties, and the cutoff variation of the interactions is within the EFT uncertainty band. We find underbound ground-state energies, as expected from the comparison to the empirical saturation point. The radii are systematically too large, but the agreement with experiment is better. We further explore variations of the 3N couplings to test their sensitivity in nuclei. While nuclear matter at saturation density is quite sensitive to the 3N couplings, we find a considerably weaker dependence in medium-mass nuclei. In addition, we explore a consistent momentum-space SRG evolution of these NN and 3N interactions, exhibiting improved many-body convergence. For the SRG-evolved interactions, the sensitivity to the 3N couplings is found to be stronger in medium-mass nuclei., 10 pages, 11 figures, published version

We present an efficient Monte Carlo framework for perturbative calculations of infinite nuclear matter based on chiral two-, three-, and four-nucleon interactions. The method enables the incorporation of all many-body contributions in a straightforward and transparent way, and makes it possible to extract systematic uncertainty estimates by performing order-by-order calculations in the chiral expansion as well as the many-body expansion. The versatility of this new framework is demonstrated by applying it to chiral low-momentum interactions, exhibiting a very good many-body convergence up to fourth order. Following these benchmarks, we explore new chiral interactions up to next-to-next-to-next-to-leading order (N$^3$LO). Remarkably, simultaneous fits to the triton and to saturation properties can be achieved, while all three-nucleon low-energy couplings remain natural. The theoretical uncertainties of nuclear matter are significantly reduced when going from next-to-next-to-leading order to N$^3$LO., published version, incl. supplemental material

We perform a comprehensive Weinberg eigenvalue analysis of a representative set of modern nucleon-nucleon interactions derived within chiral effective field theory. Our set contains local, semilocal, and nonlocal potentials, developed by Gezerlis, Tews et al. (2013); Epelbaum, Krebs, and Mei{\ss}ner (2015); and Entem, Machleidt, and Nosyk (2017) as well as Carlsson, Ekstr\"om et al. (2016), respectively. The attractive eigenvalues show a very similar behavior for all investigated interactions, whereas the magnitudes of the repulsive eigenvalues sensitively depend on the details of the regularization scheme of the short- and long-range parts of the interactions. We demonstrate that a direct comparison of numerical cutoff values of different interactions is in general misleading due to the different analytic form of regulators; for example, a cutoff value of $R=0.8$ fm for the semilocal interactions corresponds to about $R=1.2$ fm for the local interactions. Our detailed comparison of Weinberg eigenvalues provides various insights into idiosyncrasies of chiral potentials for different orders and partial waves. This shows that Weinberg eigenvalues could be used as a helpful monitoring scheme when constructing new interactions., Comment: 14 pages, 17 figures, published version

Neutron matter is an ideal laboratory for nuclear interactions derived from chiral effective field theory since all contributions are predicted up to next-to-next-to-next-to-leading order (N$^3$LO) in the chiral expansion. By making use of recent advances in the partial-wave decomposition of three- nucleon (3N) forces, we include for the first time N$^3$LO 3N interactions in many-body perturbation theory (MBPT) up to third order and in self-consistent Green's function theory (SCGF). Using these two complementary many-body frameworks we provide improved predictions for the equation of state of neutron matter at zero temperature and also analyze systematically the many-body convergence for different chiral EFT interactions. Furthermore, we present an extension of the normal-ordering framework to finite temperatures. These developments open the way to improved calculations of neutron-rich matter including estimates of theoretical uncertainties for astrophysical applications., Comment: minor changes, published version

We present solutions of the BCS gap equation in the channels ${}^1S_0$ and ${}^3P_2-{}^3F_2$ in neutron matter based on nuclear interactions derived within chiral effective field theory (EFT). Our studies are based on a representative set of nonlocal nucleon-nucleon (NN) plus three-nucleon (3N) interactions up to next-to-next-to-next-to-leading order (N$^3$LO) as well as local and semilocal chiral NN interactions up to N$^2$LO and N$^4$LO, respectively. In particular, we investigate for the first time the impact of subleading 3N forces at N$^3$LO on pairing gaps and also derive uncertainty estimates by taking into account results for pairing gaps at different orders in the chiral expansion. Finally, we discuss different methods for obtaining self-consistent solutions of the gap equation. Besides the widely-used quasi-linear method by Khodel et al. we demonstrate that the modified Broyden method is well applicable and exhibits a robust convergence behavior. In contrast to Khodel's method it is based on a direct iteration of the gap equation without imposing an auxiliary potential and is straightforward to implement.

What is the size of the atomic nucleus? This deceivably simple question is difficult to answer. Although the electric charge distributions in atomic nuclei were measured accurately already half a century ago, our knowledge of the distribution of neutrons is still deficient. In addition to constraining the size of atomic nuclei, the neutron distribution also impacts the number of nuclei that can exist and the size of neutron stars. We present an ab initio calculation of the neutron distribution of the neutron-rich nucleus Ca-48. We show that the neutron skin (difference between the radii of the neutron and proton distributions) is significantly smaller than previously thought. We also make predictions for the electric dipole polarizability and the weak form factor; both quantities that are at present targeted by precision measurements. Based on ab initio results for Ca-48, we provide a constraint on the size of a neutron star.

We calculate the properties of isospin-asymmetric nuclear matter based on chiral nucleon-nucleon (NN) and three-nucleon (3N) interactions. To this end, we develop an improved normal-ordering framework that allows to include general 3N interactions starting from a plane-wave partial-wave-decomposed form. We present results for the energy per particle for general isospin asymmetries based on a set of different Hamiltonians, study their saturation properties, the incompressibility, symmetry energy, and also provide an analytic parametrization for the energy per particle as a function of density and isospin asymmetry., Comment: minor changes, published version

We investigate asymmetric nuclear matter with two- and three-nucleon interactions based on chiral effective field theory, where three-body forces are fit only to light nuclei. Focusing on neutron-rich matter, we calculate the energy for different proton fractions and include estimates of the theoretical uncertainty. We use our ab-initio results to test the quadratic expansion around symmetric matter with the symmetry energy term, and confirm its validity for highly asymmetric systems. Our calculations are in remarkable agreement with an empirical parametrization for the energy density. These findings are very useful for astrophysical applications and for developing new equations of state., Comment: 15 pages, 9 figures, published version