Article
Astronomy & Astrophysics
Marco Taoso, Alfredo Urbano
Summary: The study analyzes the impact of primordial non-gaussianities in the presence of an ultra-slow phase during inflationary dynamics, focusing on scenarios relevant for the production of primordial black holes. By computing the three-point correlation function of comoving curvature perturbations, it is found that non-gaussianities are significant and mainly local, affecting the estimated abundance of primordial black holes obtained with the Gaussian approximation. However, it is shown that this effect can be compensated by slightly adjusting the amplitude of the primordial power spectrum of curvature perturbations through a small tuning of the parameters of the inflationary model.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2021)
Article
Astronomy & Astrophysics
Aoumeur Daddi Hammou, Nicola Bartolo
Summary: We investigate the effect of quantum decoherence on inflationary cosmological perturbations, studying its imprint on the statistical properties of fluctuations and the quantum-to-classical transition. We find that cosmic decoherence leads to corrections to the predicted curvature power spectrum and induces a non-vanishing curvature bispectrum. Additionally, we derive a criterion for scale-independent corrections induced by cosmic decoherence and analyze its effect on tensor perturbations.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2023)
Article
Astronomy & Astrophysics
Santiago Avila, Adrian Gutierrez Adame
Summary: The Fix and Pair techniques can reduce the variance in two-point statistics by modifying the initial conditions. This technique is also valid when there are local primordial nonGaussianities (PNG), reducing their variance without biasing the two-point statistics. By Matching the stochastic part of the initial conditions for different cosmologies, a large correlation between the statistics can be obtained, further reducing the uncertainty of the model testing.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2023)
Article
Astronomy & Astrophysics
Giovanni Cabass
Summary: The article discusses the non-Gaussianities of gravitons in inflation models, investigates the impact of symmetry breaking patterns on quasi de Sitter expansion, and finds that the symmetry breaking pattern of Solid Inflation allows for the greatest freedom of graviton interactions, which also have phenomenological consequences.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2021)
Article
Astronomy & Astrophysics
Amjad Ashoorioon, Ghazal Geshnizjani, Hyung J. Kim
Summary: In this paper, we study the validity and non-Gaussianity of Extended Effective Field Theory of Inflation (EEFToI) with initial conditions set with dispersion relations omega(2) a k(6). By computing the bispectrum and investigating the shape of triangles, we find interesting regions of parameter space where EEFToI with these initial conditions is sensible.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2022)
Article
Astronomy & Astrophysics
Flavio Riccardi, Marco Taoso, Alfredo Urbano
Summary: The study investigates the probability density distribution of maxima for a scalar random field in the presence of local non-gaussianities. It finds that the impact of local non-gaussianities on the abundance of primordial black holes (PBHs) has been overestimated in previous literature by many orders of magnitude. By adjusting the peak amplitude of the curvature power spectrum, one can obtain the same abundance as predicted by the gaussian approximation in realistic single-field inflationary models with ultra slow-roll.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2021)
Article
Astronomy & Astrophysics
Fengge Zhang, Yungui Gong, Jiong Lin, Yizhou Lu, Zhu Yi
Summary: The study of non-Gaussianities of primordial curvature perturbations in G-inflation models reveals that even though f(NL) becomes large at certain scales, it remains to be small at peak scales. This suggests that the contributions of non-Gaussianity to scalar induced secondary gravitational waves and primordial black hole abundance are expected to be negligible.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2021)
Article
Physics, Multidisciplinary
Mehran Kamarpour
Summary: The study focuses on generation of magnetic fields in the Higgs inflation model with kinetic coupling and radiatively corrected Higgs inflation potential. Results show that large magnetic fields cannot be produced, with negligible amplification of the magnetic field being observed.
Article
Astronomy & Astrophysics
Daisuke Yamauchi, Shuichiro Yokoyama, Tomo Takahashi
Summary: We investigate the scale-dependence of local-type primordial non-Gaussianities induced by the super-horizon evolution of scalar field perturbations. We develop a formulation based on the delta N formalism and derive the generalized form of the local-type bispectrum and trispectrum, allowing us to compare model predictions with observational data. We propose simple but meaningful expressions that encompass the information of various physically motivated models. We also calculate the large-scale power spectrum and bispectrum of biased objects in the presence of scale-dependent primordial non-Gaussianities. Fisher analysis for future galaxy surveys is performed, providing projected constraints on the parameters of the generalized local-form of primordial non-Gaussianities.
PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF JAPAN
(2023)
Article
Astronomy & Astrophysics
Debottam Nandi
Summary: The simplest form of primordial magnetogenesis can produce scale-invariant magnetic fields, but suffers from strong coupling and backreaction problems. By considering a linear combination of coupling functions and introducing a model parameter, constraints are placed on the parameter to address these issues. This analysis reveals enhanced non-Gaussianity in equilateral and flattened limits, with unique signatures characterizing this model.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2021)
Article
Astronomy & Astrophysics
F. Bianchini, G. Fabbian
Summary: This study reanalyzes FIRAS data to produce a map of mu-type spectral distortions across the sky and provides updated constraints. It also introduces constraints on primordial non-Gaussianities of curvature perturbations for the first time. Despite limitations due to FIRAS sensitivity, the results are robust against galactic and extragalactic foreground contaminations.
Article
Astronomy & Astrophysics
G. A. Pena, G. N. Candlish
Summary: The late-time effect of primordial non-Gaussianity in the early Universe is studied in this work. By generating multiple realizations of cosmological structure and analyzing the matter power spectrum, bispectrum, and trispectrum, it is found that the initial non-Gaussianity has only a small imprint on the first three polyspectra. Some models show interesting scale-dependent deviations from the Gaussian case in the bispectrum and trispectrum, although the signal is at most at the per cent level.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2022)
Article
Astronomy & Astrophysics
Lucas Pinol
Summary: This article explores linear dynamics and cubic interactions for N-field scalar fields during inflation, using observable curvature perturbations and entropic fluctuations. It reveals rich geometrical effects beyond scalar curvature, particularly when the field space dimension is larger than two. The article also highlights potential instability in background dynamics when N-field is greater than or equal to 3, due to negative eigenvalues in the entropic mass matrix from fast rotation of local entropic basis.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2021)
Article
Astronomy & Astrophysics
Matthew W. Davies, Pedro Carrilho, David J. Mulryne
Summary: In this study, we work within an idealized framework to match a series of evolution phases defined by the second slow-roll parameter eta. We calculate the reduced bispectrum, f(NL), for inflation models with a significant peak in their primordial power spectra. Our findings show that f(NL) remains relatively constant over the scales where the peak is located, and we provide an analytic approximation for this value. Additionally, we identify the conditions under which f(NL) is large enough to have a significant impact on the production of primordial black holes (PBHs) and scalar induced gravitational waves (SIGWs). The analytic formulas for the gradient of the rise and fall in the power spectrum, along with these findings, offer a toolkit for designing or quickly analyzing inflationary models that generate PBHs and SIGWs.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2022)
Article
Astronomy & Astrophysics
Vicente Atal, Guillem Domenech
Summary: In this study, we explore the spectrum of gravitational waves induced by a peaked primordial curvature power spectrum from single-field inflationary models. We suggest that the f(NL) parameter can be determined by measuring the high frequency spectral tilt of induced gravitational waves. It is found that the non-Gaussian impact of f(NL) on Omega(GW) is to broaden its peak, albeit at a negligible level to avoid overproducing primordial black holes. We also discuss potential degeneracies in the high frequency spectral tilt between f(NL) and the universe's general equation of state w. Finally, constraints on the amplitude, peak, and slope of the primordial power spectrum are discussed in relation to current and future gravitational wave experiments combined with limits on mu distortions from the cosmic microwave background.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2021)
Correction
Chemistry, Physical
Piero Lafiosca, Tommaso Giovannini, Michele Benzi, Chiara Cappelli
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Biochemistry & Molecular Biology
Sara Gomez, Natalia Rojas-Valencia, Tommaso Giovannini, Albeiro Restrepo, Chiara Cappelli
Summary: We explore the potential of resonance Raman spectroscopy for detecting ibuprofen in diluted aqueous solutions. By utilizing a fully polarizable quantum mechanics/molecular mechanics (QM/MM) approach coupled with molecular dynamics (MD) to account for the dynamic aspects of solvation, we demonstrate that selectively enhancing the Raman signal associated with the C-C stretching mode in the ring can facilitate the recognition of ibuprofen in water samples.
Article
Chemistry, Physical
Sara Gomez, Cettina Bottari, Franco Egidi, Tommaso Giovannini, Barbara Rossi, Chiara Cappelli
Summary: The origin of the specific amide spectral features of proteins in aqueous solution were investigated through a combined theoretical and experimental approach. Results demonstrated the crucial role of specific hydrogen bond interactions in the selective enhancement of amide signals. These findings further highlight the value of vibrational spectroscopy methods for refined structural analysis of peptides and proteins in aqueous solution.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Astronomy & Astrophysics
Pierre Auclair, Chiara Caprini, Daniel Cutting, Mark Hindmarsh, Kari Rummukainen, Daniele A. Steer, David J. Weir
Summary: In this study, we investigate the stochastic gravitational wave background (SGWB) produced by freely decaying vortical turbulence in the early Universe. We use hydrodynamical simulations and a Monte Carlo algorithm to study the time correlation of the velocity field and derive a new model for the turbulent velocity field consistent with the simulations. Furthermore, we analyze the UETC and propose the use of the Gibbs kernel to ensure the positive definiteness of the SGWB. The results from the numerical integration and simulations show close agreement, and we provide an approximate analytical form for the SGWB spectrum and its scaling with the initial kinetic energy and integral scale. Additionally, we demonstrate that including an initial growth phase for the turbulent flow heavily influences the spectral shape of the SGWB.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2022)
Editorial Material
Astronomy & Astrophysics
Jean-Baptiste Bayle, Beatrice Bonga, Chiara Caprini, Daniela Doneva, Martina Muratore, Antoine Petiteau, Elena Rossi, Lijing Shao
Article
Chemistry, Medicinal
Sara Gomez, Piero Lafiosca, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
Summary: UV-Resonance Raman (RR) spectroscopy is a valuable tool for studying drug-receptor binding. Computational approaches tuned for supramolecular complexity greatly enhance the extraction of molecular-level information from experimental RR spectra. This paper proposes a protocol for simulating RR spectra of complex systems using a quantum mechanics/molecular mechanics (QM/MM) approach. The protocol is successfully applied to investigate the RR spectra of the chemotherapy drug doxorubicin (DOX) intercalated into DNA, with computed results showing good agreement with experimental data, validating the computational protocol's reliability.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Physical
Piero Lafiosca, Luca Nicoli, Luca Bonatti, Tommaso Giovannini, Stefano Corni, Chiara Cappelli
Summary: We propose quantum mechanics/frequency dependent fluctuating charge (QM/ω FQ) and fluctuating dipoles (QM/ω FQFμ) multiscale approaches for modeling surface-enhanced Raman scattering spectra of molecular systems adsorbed on plasmonic nanostructures. These methods utilize classical physics to describe the plasmonic properties of noble metal nanostructures and graphene-based materials, with the inclusion of an ad-hoc correction for quantum tunneling. Selected test cases demonstrate the robustness and reliability of both QM/ω FQ and QM/ω FQFμ approaches, as their computed results agree with available experiments.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Chemistry, Physical
Tommaso Giovannini, Gioia Marrazzini, Marco Scavino, Henrik Koch, Chiara Cappelli
Summary: This paper presents a new multiscale approach for studying the electronic structure of open shell molecular systems in an external environment. The method involves coupling multilevel Hartree-Fock and Density Functional Theory with Molecular Mechanics force fields. The system is divided into active and inactive parts, describing relevant interactions at the quantum level, while the surrounding Molecular Mechanics part allows for a consistent treatment of long-range electrostatic and polarization effects. The approach is also extended to the calculation of hyperfine coupling constants and applied to selected nitroxyl radicals in an aqueous solution.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Chemistry, Physical
Natalia Rojas-Valencia, Sara Gomez, Tommaso Giovannini, Chiara Cappel, Albeiro Restrepo, Francisco Nunez-Zarur
Summary: UV-vis spectra of anionic ibuprofen and naproxen in a model lipid bilayer of the cell membrane are investigated using computational techniques in combination with a comparative analysis of drug spectra in purely aqueous environments. The simulations aim at elucidating the intricacies behind the negligible changes in the maximum absorption wavelength in the experimental spectra; Results suggest that the molecular orbitals involved in the electronic transitions are the same, regardless of the chemical environment. A thorough analysis of the contacts between the drug and water molecules reveals that no significant changes in UV-vis spectra are a consequence of ibuprofen and naproxen molecules being permanently microsolvated by water molecules, despite the presence of lipid molecules.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Correction
Chemistry, Physical
Piero Lafiosca, Tommaso Giovannini, Michele Benzi, Chiara Cappelli
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Applied
Sulejman Skoko, Cosimo Micheletti, Emanuele Grifoni, Franco Egidi, Tommaso Giovannini, Andrea Pucci, Chiara Cappelli
Summary: We propose a synergistic computational/experimental investigation of fluorescence spectra in aqueous solution. We develop a reliable and cost-effective computational protocol that accurately describes the solute-solvent interactions and takes into account both specific hydrogen bonding interactions and the dynamical aspects of solvation in ground and excited states. The computational protocol is successfully tested against experimentally measured spectra of water soluble fluorescent dyes, demonstrating its reliability and paving the way for cost-effective investigation of solvated systems' ES properties.
Review
Physics, Particles & Fields
Pierre Auclair, David Bacon, Tessa Baker, Tiago Barreiro, Nicola Bartolo, Enis Belgacem, Nicola Bellomo, Ido Ben-Dayan, Daniele Bertacca, Marc Besancon, Jose J. Blanco-Pillado, Diego Blas, Guillaume Boileau, Gianluca Calcagni, Robert Caldwell, Chiara Caprini, Carmelita Carbone, Chia-Feng Chang, Hsin-Yu Chen, Nelson Christensen, Sebastien Clesse, Denis Comelli, Giuseppe Congedo, Carlo Contaldi, Marco Crisostomi, Djuna Croon, Yanou Cui, Giulia Cusin, Daniel Cutting, Charles Dalang, Valerio De Luca, Walter Del Pozzo, Vincent Desjacques, Emanuela Dimastrogiovanni, Glauber C. Dorsch, Jose Maria Ezquiaga, Matteo Fasiello, Daniel G. Figueroa, Raphael Flauger, Gabriele Franciolini, Noemi Frusciante, Jacopo Fumagalli, Juan Garcia-Bellido, Oliver Gould, Daniel Holz, Laura Iacconi, Rajeev Kumar Jain, Alexander C. Jenkins, Ryusuke Jinno, Cristian Joana, Nikolaos Karnesis, Thomas Konstandin, Kazuya Koyama, Jonathan Kozaczuk, Sachiko Kuroyanagi, Danny Laghi, Marek Lewicki, Lucas Lombriser, Eric Madge, Michele Maggiore, Ameek Malhotra, Michele Mancarella, Vuk Mandic, Alberto Mangiagli, Sabino Matarrese, Anupam Mazumdar, Suvodip Mukherjee, Ilia Musco, Germano Nardini, Jose Miguel No, Theodoros Papanikolaou, Marco Peloso, Mauro Pieroni, Luigi Pilo, Alvise Raccanelli, Sebastien Renaux-Petel, Arianna I. Renzini, Angelo Ricciardone, Antonio Riotto, Joseph D. Romano, Rocco Rollo, Alberto Roper Pol, Ester Ruiz Morales, Mairi Sakellariadou, Ippocratis D. Saltas, Marco Scalisi, Kai Schmitz, Pedro Schwaller, Olga Sergijenko, Geraldine Servant, Peera Simakachorn, Lorenzo Sorbo, Lara Sousa, Lorenzo Speri, Daniele A. Steer, Nicola Tamanini, Gianmassimo Tasinato, Jesus Torrado, Caner Unal, Vincent Vennin, Daniele Vernieri, Filippo Vernizzi, Marta Volonteri, Jeremy M. Wachter, David Wands, Lukas T. Witkowski, Miguel Zumalacarregui, James Annis, Feanor Reuben Ares, Pedro P. Avelino, Anastasios Avgoustidis, Enrico Barausse, Alexander Bonilla, Camille Bonvin, Pasquale Bosso, Matteo Calabrese, Mesut Caliskan, Jose A. R. Cembranos, Mikael Chala, David Chernoff, Katy Clough, Alexander Criswell, Saurya Das, Antonio da Silva, Pratika Dayal, Valerie Domcke, Ruth Durrer, Richard Easther, Stephanie Escoffier, Sandrine Ferrans, Chris Fryer, Jonathan Gair, Chris Gordon, Martin Hendry, Mark Hindmarsh, Deanna C. Hooper, Eric Kajfasz, Joachim Kopp, Savvas M. Koushiappas, Utkarsh Kumar, Martin Kunz, Macarena Lagos, Marc Lilley, Joanes Lizarraga, Francisco S. N. Lobo, Azadeh Maleknejad, C. J. A. P. Martins, P. Daniel Meerburg, Renate Meyer, Jose Pedro Mimoso, Savvas Nesseris, Nelson Nunes, Vasilis Oikonomou, Giorgio Orlando, Ogan Ozsoy, Fabio Pacucci, Antonella Palmese, Antoine Petiteau, Lucas Pinol, Simon Portegies Zwart, Geraint Pratten, Tomislav Prokopec, John Quenby, Saeed Rastgoo, Diederik Roest, Kari Rummukainen, Carlo Schimd, Aurelia Secroun, Alberto Sesana, Carlos F. Sopuerta, Ismael Tereno, Andrew Tolley, Jon Urrestilla, Elias C. Vagenas, Jorinde van de Vis, Rien van de Weygaert, Barry Wardell, David J. Weir, Graham White, Bogumila Swiezewska, Valery I. Zhdanov
Summary: This publication provides an overview of the latest advancements in LISA cosmology, including theory and methods, and identifies new opportunities to probe the universe using gravitational-wave observations by LISA.
LIVING REVIEWS IN RELATIVITY
(2023)
Review
Chemistry, Multidisciplinary
Tommaso Giovannini, Chiara Cappelli
Summary: Solvent effects can significantly alter molecular spectral signals. Continuum and atomistic solvation models are the most effective approaches for properly describing these effects. This feature article reviews the continuum and atomistic descriptions in the calculation of molecular spectra, comparing their similarities and differences from a formal perspective and analyzing their computational advantages and disadvantages. Various spectral signals of increasing complexity are considered, and illustrative examples are discussed to highlight the differences between the two approaches.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Medicinal
Sara Gomez, Piero Lafiosca, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
Summary: UV-Resonance Raman (RR) spectroscopy is a valuable tool for studying drug-receptor binding at the molecular level. In this paper, a computational protocol using a quantum mechanics/molecular mechanics (QM/MM) approach is proposed to simulate RR spectra of complex systems. The protocol is applied to investigate RR spectra of the chemotherapy drug doxorubicin (DOX) intercalated into DNA, and the computed results agree well with experimental data, demonstrating the reliability of the approach.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Physical
Sveva Sodomaco, Sara Gomez, Tommaso Giovannini, Chiara Cappelli
Summary: This study investigates the adsorption process of peptides, nucleobases, and ligands on gold using computational methods. The results show that the choice of force fields strongly affects the adsorption free energies and trends. Noncovalent interactions play a crucial role in the adsorption process. This research is important for understanding adsorption processes and designing biosensors.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
