Quantum Monte Carlo calculations of neutron matter with chiral three-body forces

Chiral effective field theory (EFT) enables a systematic description of low-energy hadronic interactions with controlled theoretical uncertainties. For strongly interacting systems, quantum Monte Carlo (QMC) methods provide some of the most accurate solutions, but they require as input local potentials. We have recently constructed local chiral nucleon-nucleon (NN) interactions up to next-to-next-to-leading order (N$^2$LO). Chiral EFT naturally predicts consistent many-body forces. In this paper, we consider the leading chiral three-nucleon (3N) interactions in local form. These are included in auxiliary field diffusion Monte Carlo (AFDMC) simulations. We present results for the equation of state of neutron matter and for the energies and radii of neutron drops. In particular, we study the regulator dependence at the Hartree-Fock level and in AFDMC and find that present local regulators lead to less repulsion from 3N forces compared to the usual nonlocal regulators.Comment: 10 pages, 8 figures, 1 table, published versio

Recent progress on the accurate determination of the equation of state of neutron and nuclear matter

The problem of accurately determining the equation of state of nuclear and neutron matter at density near and beyond saturation is still an open challenge. In this paper we will review the most recent progress made by means of Quantum Monte Carlo calculations, which are at present the only ab-inito method capable to treat a sufficiently large number of particles to give meaningful estimates depending only on the choice of the nucleon-nucleon interaction. In particular, we will discuss the introduction of density-dependent interactions, the study of the temperature dependence of the equation of state, and the possibility of accurately studying the effect of the onset of hyperons by developing an accurate hyperon-nucleon and hyperon-nucleon-nucleon interaction.Comment: 3 figures, 1 table, to appear in the Proceedings of "XIII Convegno di Cortona su Problemi di Fisica Nucleare Teorica", Cortona (Italy), April 6-8, 201

Chiral Three-Nucleon Interactions in Light Nuclei, Neutron-α\alpha Scattering, and Neutron Matter

We present quantum Monte Carlo calculations of light nuclei, neutron-$\alpha$ scattering, and neutron matter using local two- and three-nucleon ($3N$) interactions derived from chiral effective field theory up to next-to-next-to-leading order (N$^2$LO). The two undetermined $3N$ low-energy couplings are fit to the $^4$He binding energy and, for the first time, to the spin-orbit splitting in the neutron-$\alpha$ $P$-wave phase shifts. Furthermore, we investigate different choices of local $3N$-operator structures and find that chiral interactions at N$^2$LO are able to simultaneously reproduce the properties of $A=3,4,5$ systems and of neutron matter, in contrast to commonly used phenomenological $3N$ interactions.Comment: 5 pages, 3 figures, 1 table - updated version: small wording changes, one reference chang

Quantum Monte Carlo calculations of light nuclei with local chiral two- and three-nucleon interactions

Local chiral effective field theory interactions have recently been developed and used in the context of quantum Monte Carlo few- and many-body methods for nuclear physics. In this work, we go over detailed features of local chiral nucleon-nucleon interactions and examine their effect on properties of the deuteron, paying special attention to the perturbativeness of the expansion. We then turn to three-nucleon interactions, focusing on operator ambiguities and their interplay with regulator effects. We then discuss the nuclear Green's function Monte Carlo method, going over both wave-function correlations and approximations for the two- and three-body propagators. Following this, we present a range of results on light nuclei: Binding energies and distribution functions are contrasted and compared, starting from several different microscopic interactions.Comment: 21 pages, 14 figures, published version, Editor's Suggestio

Efficient methodology to produce a duloxetine precursor using whole cells of Rhodotorula rubra

Different types of yeasts were employed as biocatalysts in the reduction of \u3b2-ketonitriles. The red microorganism, Rhodotorula rubra, was selected as the best performing catalyst in the reduction of different substituted ketonitriles giving total stereoselectivity in most cases (90-99% ee). In particular, its use as fresh and lyophilised cells was expanded to a semi-preparative scale for the production of the duloxetine precursor 1a. R. rubra was screened in the reduction of alkylation products in comparison with Pichia henricii for assignment of configuration of products 2a and 11a after derivatisation with S-MPA

Inclusive neutrino scattering off deuteron from threshold to GeV energies

Background: Neutrino-nucleus quasi-elastic scattering is crucial to interpret the neutrino oscillation results in long baseline neutrino experiments. There are rather large uncertainties in the cross section, due to insufficient knowledge on the role of two-body weak currents. Purpose: Determine the role of two-body weak currents in neutrino-deuteron quasi-elastic scattering up to GeV energies. Methods: Calculate cross sections for inclusive neutrino scattering off deuteron induced by neutral and charge-changing weak currents, from threshold up to GeV energies, using the Argonne $v_{18}$ potential and consistent nuclear electroweak currents with one- and two-body terms. Results: Two-body contributions are found to be small, and increase the cross sections obtained with one-body currents by less than 10% over the whole range of energies. Total cross sections obtained by describing the final two-nucleon states with plane waves differ negligibly, for neutrino energies $\gtrsim 500$ MeV, from those in which interaction effects in these states are fully accounted for. The sensitivity of the calculated cross sections to different models for the two-nucleon potential and/or two-body terms in the weak current is found to be weak. Comparing cross sections to those obtained in a naive model in which the deuteron is taken to consist of a free proton and neutron at rest, nuclear structure effects are illustrated to be non-negligible. Conclusion: Contributions of two-body currents in neutrino-deuteron quasi-elastic scattering up to GeV are found to be smaller than 10%. Finally, it should be stressed that the results reported in this work do not include pion production channels.Comment: 30 pages, 17 figures; publishe

Post-Depositional Biodegradation Processes of Pollutants on Glacier Surfaces

Glaciers are important fresh-water reservoirs for our planet. Although they are often located at high elevations or in remote areas, glacial ecosystems are not pristine, as many pollutants can undergo long-range atmospheric transport and be deposited on glacier surface, where they can be stored for long periods of time, and then be released into the down-valley ecosystems. Understanding the dynamics of these pollutants in glaciers is therefore important for assessing their environmental fate. To this aim, it is important to study cryoconite holes, small ponds filled with water and with a layer of sediment, the cryoconite, at the bottom, which occur on the surface of most glaciers. Indeed, these environments are hotspots of biodiversity on glacier surface as they host metabolically active bacterial communities that include generalist taxa able to degrade pollutants. In this work, we aim to review the studies that have already investigated pollutant (e.g., chlorpyrifos and polychlorinated-biphenyls (PCBs)) degradation in cryoconite holes and other supraglacial environmental matrices. These studies have revealed that bacteria play a significant role in pollutant degradation in these habitats and can be positively selected in contaminated environments. We will also provide indication for future research in this field

Quantum Monte Carlo Calculations with Chiral Effective Field Theory Interactions

We present the first quantum Monte Carlo (QMC) calculations with chiral effective field theory (EFT) interactions. To achieve this, we remove all sources of nonlocality, which hamper the inclusion in QMC calculations, in nuclear forces to next-to-next-to-leading order. We perform auxiliary-field diffusion Monte Carlo (AFDMC) calculations for the neutron matter energy up to saturation density based on local leading-order, next-to-leading order, and next-to-next-to-leading order nucleon-nucleon interactions. Our results exhibit a systematic order-by-order convergence in chiral EFT and provide nonperturbative benchmarks with theoretical uncertainties. For the softer interactions, perturbative calculations are in excellent agreement with the AFDMC results. This work paves the way for QMC calculations with systematic chiral EFT interactions for nuclei and nuclear matter, for testing the perturbativeness of different orders, and allows for matching to lattice QCD results by varying the pion mass.Comment: 6 pages, 3 figures, 1 tabl