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arXiv 2024年

作者： Borzooei, Sina Scabini, Leonardo Miranda, Gisele Daneshgar, Saba Deblieck, Lukas De Langhe, Piet Bruno, Odemir De Baets, Bernard Nopens, Ingmar Torfs, Elena IVL Swedish Environmental Research Institute P.O. Box 210 60 StockholmSE-100 31 Sweden BIOMATH Department of Data Analysis and Mathematical Modelling Faculty of Bioscience Engineering Ghent University Coupure links 653 Gent9000 Belgium São Carlos Institute of Physics University of São Paulo SP São Carlos13560-970 Brazil KERMIT Department of Data Analysis and Mathematical Modelling Ghent University Coupure links 653 Gent9000 Belgium Division of Computational Science and Technology KTH Royal Institute of Technology Stockholm10044 Sweden CAPTURE Centre for Advanced Process Technology for Urban Resource Recovery Frieda Saeysstraat 1 Gent9000 Belgium Pantarein Water Egide Walschaertsstraat 22L Mechelen2800 Belgium Université Laval 1065 avenue de la Médecine QuébecQCG1V 0A6 Canada

Microbial communities play a key role in biological wastewater treatment processes. Activated sludge settling characteristics, for example, are affected by microbial community composition, varying by changes in operating conditions and influent characteristics of wastewater treatment plants (WWTPs). Timely assessment and prediction of changes in microbial composition leading to settling problems, such as filamentous bulking (FB), can prevent operational challenges, reduction of treatment efficiency, and adverse environmental impacts. This study presents an innovative computer vision-based approach to assess activated sludge-settling characteristics based on the morphological properties of flocs and filaments in microscopy images. Implementing the transfer learning of deep convolutional neural network (CNN) models, this approach aims to overcome the limitations of existing quantitative image analysis techniques. The offline microscopy image dataset was collected over two years, with weekly sampling at a full-scale industrial WWTP in Belgium. Multiple data augmentation techniques were employed to enhance the generalizability of the CNN models. Various CNN architectures, including Inception v3, ResNet18, ResNet152, ConvNeXt-nano, and ConvNeXt-S, were tested to evaluate their performance in predicting sludge settling characteristics. The sludge volume index (SVI) was used as the final prediction variable, but the method can easily be adjusted to predict any other settling metric of choice. The results showed that the suggested CNN-based approach provides less labourintensive, objective, and consistent assessments while transfer learning notably minimises the training phase, resulting in a generalizable system that can be employed in real-time applications. The model's capability to signal early indicators of FB events makes it a valuable tool for effective monitoring and preemptive management of WWTPs facing activated sludge settling problems. © 2024, CC BY-NC-ND.

关键词： Convolutional neural networks

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Deeper multi-redshift upper limits on the Epoch of Reionization 21-cm signal power spectrum from LOFAR between z=8.3 and z=10.1

arXiv

引用

arXiv 2025年

作者： Mertens, F.G. Mevius, M. Koopmans, L.V.E. Offringa, A.R. Zaroubi, S. Acharya, A. Brackenhoff, S.A. Ceccotti, E. Chapman, E. Chege, K. Ciardi, B. Ghara, R. Ghosh, S. Giri, S.K. Hothi, I. Höfer, C. Iliev, I.T. Jelić, V. Ma, Q. Mellema, G. Munshi, S. Pandey, V.N. Yatawatta, S. LUX Observatoire de Paris PSL Research University CNRS Sorbonne Université ParisF-75014 France Astron PO Box 2 Dwingeloo7990 AA Netherlands Kapteyn Astronomical Institute University of Groningen PO Box 800 Groningen9700 AV Netherlands Department of Natural Sciences The Open University of Israel 1 University Road PO Box 808 Ra’anana4353701 Israel Max-Planck Institute for Astrophysics Karl-Schwarzschild-Straße 1 Garching85748 Germany INAF – Istituto di Radioastronomia Via P. Gobetti 101 Bologna40129 Italy School of Physics and Astronomy The University of Nottingham University Park NottinghamNG7 2RD United Kingdom Department of Physical Sciences Indian Institute of Science Education and Research Kolkata WB Mohanpur741 246 India Van Swinderen Institute for Particle Physics and Gravity University of Groningen Nijenborgh 4 Groningen9747 AG Netherlands Nordita KTH Royal Institute of Technology Stockholm University Hannes Alfvéns väg 12 StockholmSE-106 91 Sweden Laboratoire de Physique de l’Ecole Normale Supérieure ENS Université PSL CNRS Sorbonne Université Université de Paris ParisF-75005 France Astronomy Centre Department of Physics and Astronomy Pevensey II Building University of Sussex BrightonBN1 9QH United Kingdom Ruđer Bošković Institute Bijenička cesta 54 Zagreb10000 Croatia School of Physics and Electronic Science Guizhou Normal University Guiyang550001 China Guizhou Provincial Key Laboratory of Radio Astronomy and Data Processing Guizhou Normal University Guiyang550001 China The Oskar Klein Centre Department of Astronomy Stockholm University AlbaNova StockholmSE-10691 Sweden

We present new upper limits on the 21-cm signal power spectrum from the Epoch of Reionization (EoR), at redshifts z ≈ 10.1, 9.1, and 8.3, based on reprocessed observations from the Low-Frequency Array (LOFAR). The analysis incorporates significant enhancements in calibration methods, sky model subtraction, radio-frequency interference (RFI) mitigation, and an improved signal separation technique using machine learning to develop a physically motivated covariance model for the 21-cm signal. These advancements have markedly reduced previously observed excess power due to residual systematics, bringing the measurements closer to the theoretical thermal noise limit across the entire k-space. Using comparable observational data, we achieve a 2 to 4-fold improvement over our previous LOFAR limits, with best upper limits of Δ221 2 at k = 0.076 ℎ cMpc−1, Δ221 2 at k = 0.076 ℎ cMpc−1 and Δ221 2 at k = 0.083 ℎ cMpc−1 at redshifts z ≈ 10.1, 9.1, and 8.3, respectively. These new multi-redshift upper limits provide new constraints that can be used to refine our understanding of the astrophysical processes during the EoR. Comprehensive validation tests, including signal injection, were performed to ensure the robustness of our methods. The remaining excess power is attributed to residual foreground emissions from distant sources, beam model inaccuracies, and low-level RFI. We discuss ongoing and future improvements to the data processing pipeline aimed at further reducing these residuals, thereby enhancing the sensitivity of LOFAR observations in the quest to detect the 21-cm signal from the EoR. © 2025, CC BY.

关键词： Cosmology

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Measurement of the 2νββ decay rate and spectral shape of 100Mo from the CUPID-Mo experiment

arXiv

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arXiv 2023年

作者： Augier, C. Barabash, A.S. Bellini, F. Benato, G. Beretta, M. Bergé, L. Billard, J. Borovlev, Yu.A. Cardani, L. Casali, N. Cazes, A. Celi, E. Chapellier, M. Chiesa, D. Dafinei, I. Danevich, F.A. De Jesus, M. Dixon, T. Dumoulin, L. Eitel, K. Ferri, F. Fujikawa, B.K. Gascon, J. Gironi, L. Giuliani, A. Grigorieva, V.D. Gros, M. Helis, D.L. Huang, H.Z. Huang, R. Imbert, L. Johnston, J. Juillard, A. Khalife, H. Kleifges, M. Kobychev, V.V. Kolomensky, Yu.G. Konovalov, S.I. Kotila, J. Loaiza, P. Ma, L. Makarov, E.P. de Marcillac, P. Mariam, R. Marini, L. Marnieros, S. Navick, X.-F. Nones, C. Norman, E.B. Olivieri, E. Ouellet, J.L. Pagnanini, L. Pattavina, L. Paul, B. Pavan, M. Peng, H. Pessina, G. Pirro, S. Poda, D.V. Polischuk, O.G. Pozzi, S. Previtali, E. Redon, Th. Rojas, A. Rozov, S. Sanglard, V. Scarpaci, J.A. Schmidt, B. Shen, Y. Shlegel, V.N. Šimkovic, F. Singh, V. Tomei, C. Tretyak, V.I. Umatov, V.I. Vagneron, L. Velázquez, M. Ware, B. Welliver, B. Winslow, L. Xue, M. Yakushev, E. Zarytskyy, M. Zolotarova, A.S. Univ Lyon Université Lyon 1 CNRS IN2P3 IP2I-Lyon VilleurbanneF-69622 France National Research Centre "Kurchatov Institute" Kurchatov Complex of Theoretical and Experimental Physics Moscow117218 Russia Dipartimento di Fisica Sapienza Università di Roma P.le Aldo Moro 2 RomeI-00185 Italy INFN Sezione di Roma P.le Aldo Moro 2 RomeI-00185 Italy INFN Laboratori Nazionali del Gran Sasso AQ AssergiI-67100 Italy INFN Gran Sasso Science Institute L’AquilaI-67100 Italy University of California BerkeleyCA94720 United States Université Paris-Saclay CNRS IN2P3 IJCLab Orsay91405 France Nikolaev Institute of Inorganic Chemistry Novosibirsk630090 Russia Dipartimento di Fisica Università di Milano-Bicocca MilanoI-20126 Italy INFN Sezione di Milano-Bicocca MilanoI-20126 Italy Institute for Nuclear Research of NASU Kyiv03028 Ukraine INFN Sezione di Roma Tor Vergata Via della Ricerca Scientifica 1 RomeI-00133 Italy IRFU CEA Université Paris-Saclay Gif-sur-YvetteF-91191 France Karlsruhe Institute of Technology Institute for Astroparticle Physics Karlsruhe76021 Germany Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Fudan University Shanghai200433 China Massachusetts Institute of Technology CambridgeMA02139 United States Karlsruhe Institute of Technology Institute for Data Processing and Electronics Karlsruhe76021 Germany National Research Centre Kurchatov Institute Institute of Theoretical and Experimental Physics Moscow117218 Russia Department of Physics University of Jyväskylä PO Box 35 JyväskyläFI-40014 Finland Finnish Institute for Educational Research University of Jyväskylä P.O. Box 35 JyvaäskyläFI-40014 Finland Center for Theoretical Physics Sloane Physics Laboratory Yale University New HavenCT06520-8120 United States Physik Department Technische Universität München GarchingD-85748 Germany Department of Modern Physics University of Science and Technology of China Hefei230027 China LSM Laboratoir

Neutrinoless double beta decay (0νββ) is a yet unobserved nuclear process which would demonstrate Lepton Number violation, a clear evidence of beyond Standard Model physics. The process two neutrino double beta decay (2νββ) is allowed by the Standard Model and has been measured in numerous experiments. In this letter, we report a measurement of 2νββ decay half-life of 100Mo to the ground state of 100Ru of (7.07 ± 0.02 (stat.) ± 0.11 (syst.)) × 1018 yr by the CUPID-Mo experiment. With a relative precision of ± 1.6 % this is the most precise measurement to date of a 2νββ decay rate in 100Mo. In addition, we constrain higher-order corrections to the spectral shape which provides complementary nuclear structure information. We report a novel measurement of the shape factor ξ3,1 = 0.45 ±0.03 (stat.) ±0.05 (syst.), which is compared to theoretical predictions for different nuclear models. We also extract the first value for the effective axial vector coupling constant obtained from a spectral shape study of 2νββ decay. © 2023, CC BY.

关键词： Ground state

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KURVS: The outer rotation curve shapes and dark matter fractions of z ∼ 1.5 star-forming galaxies

arXiv

引用

arXiv 2023年

作者： Puglisi, Annagrazia Dudzevičiūte, Ugne Swinbank, Mark Gillman, Steven Tiley, Alfred L. Bower, Richard G. Cirasuolo, Michele Cortese, Luca Glazebrook, Karl Harrison, Chris Ibar, Edo Molina, Juan Obreschkow, Danail Oman, Kyle A. Schaller, Matthieu Shankar, Francesco Sharples, Ray M. Centre for Extragalactic Astronomy Department of Physics Durham University South Road DurhamDH1 3LE United Kingdom School of Physics and Astronomy University of Southampton Highfield SO17 1BJ United Kingdom Max-Planck-Institut für Astronomie Königstuhl 17 HeidelbergD-69117 Germany Denmark DTU-Space Technical University of Denmark Elektrovej 327 Kgs. LyngbyDK-2800 Denmark International Centre for Radio Astronomy Research University of Western Australia 35 Stirling Highway CrawleyWA6009 Australia Institute for Computational Cosmology Durham University South Road DurhamDH1 3LE United Kingdom Institute for Data Science Department of Physics Durham University South Road DurhamDH1 3LE United Kingdom European Southern Observatory Karl-Schwarzschild-Str 2 Garching b. MünchenD-86748 Germany Australia Centre for Astrophysics and Supercomputing Swinburne University of Technology PO Box 218 HawthornVIC3122 Australia School of Mathematics Statistics and Physics Newcastle University Newcastle upon TyneNE1 7RU United Kingdom Instiuto de Física y Astronomía Universidad de Valparaíso Avda. Gran Bretaña 1111 Valparaíso Chile Department of Space Earth and Environment Chalmers University of Technology Onsala Space Observatory Onsala439 92 Sweden Australian Research Council Centre of Excellence for All-Sky Astrophysics 44 Rosehill Street RedfernNSW2016 Australia Department of Physics Durham University South Road DurhamDH1 3LE United Kingdom Lorentz Institute for Theoretical Physics Leiden University PO Box 9506 LeidenNL-2300 RA Netherlands Leiden Observatory Leiden University PO Box 9513 LeidenNL-2300 RA Netherlands Centre for Advanced Instrumentation Department of Physics Durham University South Road DurhamDH1 3LE United Kingdom

We present first results from the KMOS Ultra-deep Rotation Velocity Survey (KURVS), aimed at studying the outer rotation curves shape and dark matter content of 22 star-forming galaxies at z ∼ 1.5. These galaxies represent ‘typical’ star-forming discs at z ∼ 1.5, being located within the star-forming main sequence and stellar mass-size relation with stellar masses 9.5 6 log(M★/M☉) 6 11.5. We use the spatially-resolved Hα emission to extract individual rotation curves out to 4 times the effective radius, on average, or ∼ 10 − 15 kpc. Most rotation curves are flat or rising between three and six disc scale radii. Only three objects with dispersion-dominated dynamics (vrot/σ0 ∼ 0.2) have declining outer rotation curves at more than 5σ significance. After accounting for seeing and pressure support, the nine rotation-dominated discs with vrot/σ0 > 1.5 have average dark matter fractions of 50 ± 20% at the effective radius, similar to local discs. Together with previous observations of star-forming galaxies at cosmic noon, our measurements suggest a trend of declining dark matter fraction with increasing stellar mass and stellar mass surface density at the effective radius. Measurements of simulated EAGLE galaxies are in quantitative agreement with observations up to log(M★Reff−2/M☉ kpc−2) ∼ 9.2, and over-predict the dark matter fraction of galaxies with higher mass surface densities by a factor of ∼ 3. We conclude that the dynamics of typical rotationally-supported discs at z ∼ 1.5 is dominated by dark matter from effective radius scales, in broad agreement with cosmological models. The tension with observations at high stellar mass surface density suggests that the prescriptions for baryonic processes occurring in the most massive galaxies (such as bulge growth and quenching) need to be reassessed. Copyright © 2023, The Authors. All rights reserved.

关键词： Galaxies

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Beyond UVJ: Color Selection of Galaxies in the JWST Era

arXiv

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arXiv 2022年

作者： Antwi-Danso, Jacqueline Papovich, Casey Leja, Joel Marchesini, Danilo Marsan, Z. Cemile Martis, Nicholas S. Labbé, Ivo Muzzin, Adam Glazebrook, Karl Straatman, Caroline M.S. Tran, Kim-Vy H. George P. and Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy Texas A&m University College StationTX United States Department of Physics and Astronomy Texas A&m University 4242 TAMU College StationTX United States Department of Astronomy & Astrophysics The Pennsylvania State University University ParkPA16802 United States Institute for Computational & Data Sciences The Pennsylvania State University University ParkPA United States Institute for Gravitation and the Cosmos The Pennsylvania State University University ParkPA16802 United States Department of Physics and Astronomy Tufts University MedfordMA United States Department of Physics and Astronomy York University TorontoON Canada Department of Astronomy and Physics St. Mary's University HalifaxNS Canada National Research Council of Canada Herzberg Astronomy & Astrophysics Research Centre 5071 West Saanich Road VictoriaBCV9E 2E7 Canada Center for Astrophysics & Supercomputing Swinburne University HawthornVIC Australia Department of Physics and Astronomy Ghent University Krijgslaan 281 S9 GentB-9000 Belgium Max-Planck Institut für Astronomie Königstuhl 17 HeidelbergD-69117 Germany School of Physics University of New South Wales Kensington Australia Arc Centre for Excellence in All-Sky Astrophysics in 3D Australia

We present a new rest-frame color-color selection method using "synthetic us- gsand gs- is", (ugi)scolors to identify star-forming and quiescent galaxies. Our method is similar to the widely-used U - V versus V - J (UVJ) diagram. However, UVJ suffers known systematics. Spectroscopic campaigns have shown that UVJ-selected quiescent samples at z 3 include ∼ 10 - 30% contamination from galaxies with dust-obscured star formation and strong emission lines. Moreover, at z > 3, UV J colors are extrapolated because the rest-frame J-band shifts beyond the coverage of the deepest bandpasses at soffers improvements to UVJ at z > 3, and can be applied to galaxies in the JWST era. We apply (ugi)sselection to galaxies at 0.5 0color by up to 1 magnitude, but changes (gs- is)0color by ≤ 0.2 mag, even at z ≅ 6. While (ugi)s-selected quiescent samples are comparable to UV J in completeness (both achieve ∼85-90% at z = 3-3.5), (ugi)sreduces contamination in quiescent samples by nearly a factor of two, from ≅35% to ≅17% at z = 3, and from ≅60% to ≅33% at z = 6. This leads to improvements in the true-to-false-positive ratio (TP/FP), where we find TP/FP 2.2 for (ugi)sat z ≅ 3.5 - 6, compared to TP/FP swill provide higher-fidelity samples. © 2022, CC BY.

关键词： Galaxies

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Final results on the decay half-life limit of Mo from the CUPID-Mo experiment

引用

The European Physical Journal C 2022年第11期82卷 1-20页

作者： Augier, C. Barabash, A. S. Bellini, F. Benato, G. Beretta, M. Bergé, L. Billard, J. Borovlev, Yu. A. Cardani, L. Casali, N. Cazes, A. Chapellier, M. Chiesa, D. Dafinei, I. Danevich, F. A. De Jesus, M. de Marcillac, P. Dixon, T. Dumoulin, L. Eitel, K. Ferri, F. Fujikawa, B. K. Gascon, J. Gironi, L. Giuliani, A. Grigorieva, V. D. Gros, M. Helis, D. L. Huang, H. Z. Huang, R. Imbert, L. Johnston, J. Juillard, A. Khalife, H. Kleifges, M. Kobychev, V. V. Kolomensky, Yu. G. Konovalov, S. I. Loaiza, P. Ma, L. Makarov, E. P. Mariam, R. Marini, L. Marnieros, S. Navick, X.-F. Nones, C. Norman, E. B. Olivieri, E. Ouellet, J. L. Pagnanini, L. Pattavina, L. Paul, B. Pavan, M. Peng, H. Pessina, G. Pirro, S. Poda, D. V. Polischuk, O. G. Pozzi, S. Previtali, E. Redon, Th. Rojas, A. Rozov, S. Sanglard, V. Scarpaci, J. A. Schmidt, B. Shen, Y. Shlegel, V. N. Singh, V. Tomei, C. Tretyak, V. I. Umatov, V. I. Vagneron, L. Velázquez, M. Welliver, B. Winslow, L. Xue, M. Yakushev, E. Zarytskyy, M. Zolotarova, A. S. Univ Lyon Université Lyon 1 CNRS/IN2P3 IP2I-Lyon Villeurbanne France National Research Centre Kurchatov Institute Institute of Theoretical and Experimental Physics Moscow Russia Dipartimento di Fisica Sapienza Università di Roma Rome Italy INFN Sezione di Roma Rome Italy IRFU CEA Université Paris-Saclay Gif-sur-Yvette France INFN Laboratori Nazionali del Gran Sasso Assergi Italy Department of Physics University of California Berkeley USA Université Paris-Saclay CNRS/IN2P3 IJCLab Orsay France Nikolaev Institute of Inorganic Chemistry Novosibirsk Russia Dipartimento di Fisica Università di Milano-Bicocca Milan Italy INFN Sezione di Milano-Bicocca Milan Italy Institute for Nuclear Research Kyiv Ukraine Institute for Astroparticle Physics Karlsruhe Institute of Technology Karlsruhe Germany Nuclear Science Division Lawrence Berkeley National Laboratory Berkeley USA Gran Sasso Science Institute L’Aquila Italy Key Laboratory of Nuclear Physics and Ion-beam Application (MOE) Fudan University Shanghai People’s Republic of China Massachusetts Institute of Technology Cambridge USA Institute for Data Processing and Electronics Karlsruhe Institute of Technology Karlsruhe Germany Department of Nuclear Engineering University of California Berkeley USA Physik Department Technische Universität München Garching Germany Department of Modern Physics University of Science and Technology of China Hefei People’s Republic of China LSM Laboratoire Souterrain de Modane Modane France Laboratory of Nuclear Problems JINR Dubna Russia Department of Physics and Astronomy Northwestern University Evanston USA Université Grenoble Alpes CNRS Grenoble INP SIMAP Saint Martin d’Héres France

The CUPID-Mo experiment to search for 0 $$\nu \beta \beta $$ decay in $$^{100}$$ Mo has been recently completed after about 1.5 years of operation at Laboratoire Souterrain de Modane (France). It served as a demonstrator for CUPID, a next generation 0 $$\nu \beta \beta $$ decay experiment. CUPID-Mo was comprised of 20 enriched $$\hbox {Li}_{{2}}$$ $$^{100}$$ $$\hbox {MoO}_4$$ scintillating calorimeters, each with a mass of $$\sim 0.2$$ kg, operated at $$\sim 20$$ mK. We present here the final analysis with the full exposure of CUPID-Mo ( $$^{100}$$ Mo exposure of 1.47 $$\hbox {kg} \times \hbox {year}$$ ) used to search for lepton number violation via 0 $$\nu \beta \beta $$ decay. We report on various analysis improvements since the previous result on a subset of data, reprocessing all data with these new techniques. We observe zero events in the region of interest and set a new limit on the $$^{100}$$ Mo 0 $$\nu \beta \beta $$ decay half-life of $$T_{1/2}^{0\nu }$$ $$> {1.8}\times 10^{24}$$ year (stat. + syst.) at 90% CI. Under the light Majorana neutrino exchange mechanism this corresponds to an effective Majorana neutrino mass of $$\left$$ $$<~{(0.28{-}0.49)} $$ eV, dependent upon the nuclear matrix element utilized.

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Is fixed-node diffusion quantum Monte Carlo reproducible?

arXiv

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arXiv 2025年

作者： Pia, Flaviano Della Shi, Benjamin X. Al-Hamdani, Yasmine S. Alfè, Dario Anderson, Tyler A. Barborini, Matteo Benali, Anouar Casula, Michele Drummond, Neil Dubecký, Matúš Filippi, Claudia Kent, Paul R.C. Krogel, Jaron T. Ríos, Pablo López Lüchow, Arne Luo, Ye Michaelides, Angelos Mitas, Lubos Nakano, Kousuke Needs, Richard Per, Manolo C. Scemama, Anthony Schultze, Jil Shinde, Ravindra Slootman, Emiel Sorella, Sandro Tkatchenko, Alexandre Towler, Mike Umrigar, C.J. Wagner, Lucas K. Wheeler, William A. Zhou, Haihan Zen, Andrea Yusuf Hamied Department of Chemistry University of Cambridge CambridgeCB2 1EW United Kingdom Department of Earth Sciences University College London LondonWC1E 6BT United Kingdom Dipartimento di Fisica Ettore Pancini Università di Napoli Federico II Monte S. Angelo NapoliI-80126 Italy Laboratory of Atomic and Solid State Physics Cornell University IthacaNY14853 United States HPC Platform University of Luxembourg Esch-sur-AlzetteL-4365 Luxembourg Computational Science Division Argonne National Laboratory LemontIL United States Sorbonne Université CNRS UMR 7590 MNHN 4 Place Jussieu Paris75252 France Department of Physics Lancaster University LancasterLA1 4YB United Kingdom Department of Physics Faculty of Science University of Ostrava 30. Dubna 22 Ostrava701 03 Czech Republic MESA+ Institute for Nanotechnology University of Twente Enschede7500 AE Netherlands Computational Sciences and Engineering Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Materials Science and Technology Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Max Planck Institute for Solid State Research Heisenbergstr. 1 Stuttgart70569 Germany Institute of Physical Chemistry RWTH Aachen University Landoltweg 2 Aachen52074 Germany Department of Physics North Carolina State University RaleighNC27695-8202 United States 1-2-1 Sengen Tsukuba Ibaraki305-0047 Japan Theory of Condensed Matter Group Cavendish Laboratory J. J. Thomson Avenue CambridgeCB3 0HE United Kingdom CSIRO Data61 ClaytonVIC3168 Australia Université de Toulouse CNRS UPS Toulouse31062 France International School for Advanced Studies SISSA Trieste34136 Italy Department of Physics and Materials Science University of Luxembourg Luxembourg CityL-1511 Luxembourg The Apuan Alps Centre for Physics Vallico Sotto Italy Department of Physics University of Illinois at Urbana-Champaign UrbanaIL61801 United States Department of Materials Science and Engi

Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely-trusted manybody method for solving the Schrödinger equation, known for its reliable predictions of material and molecular properties. Furthermore, its excellent scalabilitywith system complexity and near-perfect utilization of computational power makes FN-DMC ideally positioned to leverage new advances in computing to address increasingly complex scientific problems. Even though the method is widely used as a computational gold standard, reproducibility across the numerous FN-DMC code implementations has yet to be demonstrated. This difficulty stems from the diverse array of DMC algorithms and trial wave functions, compounded by the method's inherent stochastic nature. This study represents a community-wide effort to address the titular question, affirming that: Yes, FN-DMC is reproducible (when handled with care). Using the water-methane dimer as the canonical test case, we compare results from eleven different FN-DMC codes and show that the approximations to treat the non-locality of pseudopotentials are the primary source of the discrepancies between them. In particular, we demonstrate that, for the same choice of determinantal component in the trial wave function, reliable and reproducible predictions can be achieved by employing the T-move (TM), the determinant locality approximation (DLA), or the determinant T-move (DTM) schemes, while the older locality approximation (LA) leads to considerable variability in results. This work lays the foundation to establish accurate and reproducible FN-DMC estimates for all future studies across applications in materials science, physics, chemistry, and biology. © 2025, CC BY.

关键词： Wave functions

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Observational properties of puffy disks: radiative GRMHD spectra of mildly sub-Eddington accretion

arXiv

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arXiv 2022年

作者： Wielgus, Maciek Lančová, Debora Straub, Odele Kluźniak, Wlodek Narayan, Ramesh Abarca, David Różańska, Agata Vincent, Frederic Török, Gabriel Abramowicz, Marek Max-Planck-Institut für Radioastronomie Auf dem Hügel 69 BonnD-53121 Germany Black Hole Initiative Harvard University 20 Garden Street CambridgeMA02138 United States Center for Astrophysics | Harvard & Smithsonian 60 Garden Street CambridgeMA02138 United States Research Center for Computational Physics and Data Processing Institute of Physics Silesian University Opava Czech Republic Nicolaus Copernicus Astronomical Centre Polish Academy of Sciences Bartycka 18 Warsaw00-716 Poland ORIGINS Excellence Cluster Boltzmannstraße 2 GarchingD-85748 Germany Max Planck Institute for Extraterrestrial Physics Gießenbachstraße 1 GarchingD-85748 Germany LESIA Observatoire de Paris Université PSL CNRS Sorbonne Universités UPMC Univ. Paris 06 Univ. de Paris Sorbonne Paris Cité 5 place Jules Janssen Meudon92195 France Department of Physics Göteborg University GöteborgSE-412-96 Sweden

Numerical general relativistic radiative magnetohydrodynamic simulations of accretion disks around a stellar mass black hole with a luminosity above 0.5 of the Eddington value reveal their stratified, elevated vertical structure. We refer to these thermally stable numerical solutions as puffy disks. Above a dense and geometrically thin core of dimensionless thickness ℎ/r ∼ 0.1, crudely resembling a classic thin accretion disk, a puffed-up, geometrically thick layer of lower density is formed. This puffy layer corresponds to ℎ/r ∼ 1.0, with a very limited dependence of the dimensionless thickness on the mass accretion rate. We discuss the observational properties of puffy disks, in particular the geometrical obscuration of the inner disk by the elevated puffy region at higher observing inclinations, and collimation of the radiation along the accretion disk spin axis, which may explain the apparent super-Eddington luminosity of some X-ray objects. We also present synthetic spectra of puffy disks, and show that they are qualitatively similar to those of a Comptonized thin disk. We demonstrate that the existing xspec spectral fitting models provide good fits to synthetic observations of puffy disks, but cannot correctly recover the input black hole spin. The puffy region remains optically thick to scattering;in its spectral properties the puffy disk roughly resembles that of a warm corona sandwiching the disk core. We suggest that puffy disks may correspond to X-ray binary systems of luminosities above 0.3 of the Eddington luminosity in the intermediate spectral states. © 2022, CC BY.

关键词： Luminance

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The need to implement FAIR principles in biomolecular simulations

arXiv

引用

arXiv 2024年

作者： Amaro, R. Åqvist, J. Bahar, I. Battistini, F. Bellaiche, A. Beltran, D. Biggin, P.C. Bonomi, M. Bowman, G.R. Bryce, R. Bussi, G. Carloni, P. Case, D. Cavalli, A. Chang, C.A. Cheatham, T.E. Cheung, M.S. Chipot, C. Chong, L.T. Choudhary, P. Cisneros, G.A. Clementi, C. Collepardo-Guevara, R. Coveney, P. Covino, R. Crawford, T.D. Dal Peraro, M. de Groot, B. Delemotte, L. De Vivo, M. Essex, J. Fraternali, F. Gao, J. Gelpí, J.L. Gervasio, F.L. Gonzalez-Nilo, F.D. Grubmüller, H. Guenza, M.G. Guzman, H.V. Harris, S. Head-Gordon, T. Hernandez, R. Hospital, A. Huang, N. Huang, X. Hummer, G. Iglesias-Fernández, J. Jensen, J.H. Jha, S. Jiao, W. Jorgensen, W.L. Kamerlin, S.C.L. Khalid, S. Laughton, C. Levitt, M. Limongelli, V. Lindahl, E. Lindorff-Larsen, K. Loverde, S. Lundborg, M. Luo, Y.L. Luque, F.J. Lynch, C.I. MacKerell, A. Magistrato, A. Marrink, S.J. Martin, H. McCammon, J.A. Merz, K. Moliner, V. Mulholland, A. Murad, S. Naganathan, A.N. Nangia, S. Noe, F. Noy, A. Oláh, J. O'Mara, M. Ondrechen, M.J. Onuchic, J.N. Onufriev, A. Osuna, S. Palermo, G. Panchenko, A.R. Pantano, S. Parish, C. Parrinello, M. Perez, A. Perez-Acle, T. Perilla, J.R. Pettitt, B.M. Pietropaolo, A. Piquemal, J.-P. Poma, A. Praprotnik, M. Ramos, M.J. Ren, P. Reuter, N. Roitberg, A. Rosta, E. Rovira, C. Roux, B. Röthlisberger, U. Sanbonmatsu, K. Schlick, T. Shaytan, A.K. Simmerling, C. Smith, J.C. Sugita, Y. Świderek, K. Taiji, M. Tao, P. Tikhonova, I.G. Tirado-Rives, J. Tuñón, I. Van Der Kamp, M.W. Van der Spoel, D. Velankar, S. Voth, G.A. Wade, R. Warshel, A. Welborn, V.V. Wetmore, S. Wong, C.F. Yang, L.-W. Zacharias, M. Orozco, M. Department of Molecular Biology University of California San DiegoCA United States Department of Cell and Molecular Biology Uppsala University Uppsala Sweden Laufer Center for Physical and Quantitative Biology Renaissance School of Medicine Stony Brook University Stony BrookNY United States Department of Biochemistry and Cell Biology Renaissance School of Medicine Stony Brook University Stony BrookNY United States Barcelona Spain European Molecular Biology Laboratory European Bioinformatics Institute Hinxton United Kingdom Structural Bioinformatics and Computational Biochemistry Department of Biochemistry University of Oxford Oxford United Kingdom Institut Pasteur Université Paris Cité CNRS UMR 3528 Computational Structural Biology Unit Paris France Department of Biochemistry and Biophysics University of Pennsylvania PhiladelphiaPA United States Division of Pharmacy and Optometry University of Manchester Manchester United Kingdom Scuola Internazionale Superiore di Studi Avanzati-SISSA Trieste Italy Computational Biomedicine Institute of Advanced Simulations IAS-5 Institute for Neuroscience and Medicine INM-9 Forschungszentrum Jülich GmbH Jülich Germany Department of Physics and Universitätsklinikum RWTH Aachen University Aachen Germany Department of Chemistry & Chemical Biology Rutgers University PiscatawayNJ United States Istituto Italiano di Tecnologia Drug Discovery and Development Bologna Italy Lausanne Switzerland Department of Chemistry University of California RiversideCA United States Department of Medicinal Chemistry College of Pharmacy University of Utah Salt Lake CityUT United States Department of Physics University of Washington SeattleWA United States Pacific Northwest National Laboratory RichlandWA United States LIA CNRS-UIUC UMR n°7019 Université de Lorraine Vandœuvre-lès-Nancy France Department of Physics University of Illinois at Urbana-Champaign UrbanaIL United States Department of Biochemistry and Molecular Biol

The communities that embraced data archiving efforts decades ago are now, in the era of data-driven biology, those gaining the most from the AI revolution. The structural biology community was a pioneer in this regard by establishing the Protein data Bank (PDB) in 1971 and making data accessible using the FAIR (Findable, Accessible, Interoperable and Reusable) principles even before these were articulated [1, 2]. The genomics/bioinformatics community has followed the example, establishing many widely used databases [3, 4]. By contrast, molecular simulation has been anchored in usage paradigms dating back to the seventies, when molecular dynamics (MD) simulation was first applied to study biomacromolecules [5]. At that time, MD was used by theoretical physicists and chemists in "proof of concept" simulations. Still, fifty years later, MD has evolved into a cornerstone molecular biology technique that can provide accurate quantitative analysis and property prediction. MD is now employed by tens of thousands of researchers worldwide, accounting for roughly 15% of global supercomputer usage. Unfortunately, these rich and costly data are not systematically maintained, and when further analyses are required, simulations have to be rerun-an unacceptable situation from scientific, environmental and sustainability standpoints. In this letter, we argue for a collaborative endeavor to archive MD simulation data and describe ongoing efforts to establish cost-effective and sustainable data archiving strategies. © 2024, CC BY-NC-SA.

关键词： Biotic

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Emission-Line Diagnostics at z > 4: [O III]λ4363/Hγ

arXiv

引用

arXiv 2025年

作者： Backhaus, Bren E. Cleri, Nikko J. Trump, Jonathan R. Kirkpatrick, Allison Simons, Raymond C. Haro, Pablo Arrabal Bagley, Micaela B. Brooks, Madisyn Calabrò, Antonello Davis, Kelcey Dickinson, Mark Finkelstein, Steven L. Hirschmann, Michaela Kartaltepe, Jeyhan S. Koekemoer, Anton M. Llerena, Mario Pacucci, Fabio Pirzkal, Nor Papovich, Casey Wilkins, Stephen M. Department of Physics and Astronomy University of Kansas LawrenceKS66045 United States Department of Physics University of Connecticut 196A Auditorium Road Unit 3046 StorrsCT06269 United States Department of Astronomy and Astrophysics The Pennsylvania State University University ParkPA16802 United States Institute for Computational and Data Sciences The Pennsylvania State University University ParkPA16802 United States Institute for Gravitation and the Cosmos The Pennsylvania State University University ParkPA16802 United States NSF’s National Optical-Infrared Astronomy Research Laboratory 950 N. Cherry Ave. TucsonAZ85719 United States Department of Astronomy The University of Texas at Austin AustinTX United States INAF Osservatorio Astronomico di Roma Via Frascati 33 Monteporzio Catone Rome00078 Italy Observatoire de Sauverny Versoix1290 Switzerland Laboratory for Multiwavelength Astrophysics School of Physics and Astronomy Rochester Institute of Technology 84 Lomb Memorial Drive RochesterNY14623 United States Space Telescope Science Institute 3700 San Martin Dr. BaltimoreMD21218 United States INAF - Osservatorio Astronomico di Roma via di Frascati 33 Monte Porzio Catone00078 Italy Center for Astrophysics | Harvard & Smithsonian 60 Garden St CambridgeMA02138 United States Black Hole Initiative Harvard University 20 Garden St CambridgeMA02138 United States ESA AURA Space Telescope Science Institute United States Department of Physics and Astronomy Texas A&M University College StationTX77843-4242 United States George P. and Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy Texas A&M University College StationTX77843-4242 United States Astronomy Centre University of Sussex Falmer BrightonBN1 9QH United Kingdom Institute of Space Sciences and Astronomy University of Malta MsidaMSD 2080 Malta

We use JWST Near-Infrared Spectrograph (NIRSpec) observations from the the Cosmic Evolution Early Release survey (CEERS), GLASS-JWST ERS (GLASS), and JWST Advanced Deep Extragalactic Survey (JADES) to measure rest-frame optical emission-line ratios of 90 galaxies at z > 4. The stacked spectra of galaxies with and without a broad-line feature reveal a difference in the [O III]λ 4363 and Hγ ratios. This motivated our investigation of the [O III]λ4363/Hγ vs [Ne III]/[O II] diagram. We define two AGN/SF classification lines based on 1869 SDSS galaxies at z ∼ 0. After applying a redshift correction to the AGN/SF lines we find 76.8% of BLAGN continue to land in the AGN region of the diagnostic largely due to the [Ne III]/[O II] ratio. However, 40.2% of non-BLAGN land in the AGN region as well, this could be due to star forming galaxies having harder ionization of there are narrow line AGN which are not accounted for. This indicates the potential of the [Ne III]/[O II]ratio to continue classifying galaxies to z ∼ 6. We further inspect galaxies without broad emission lines in each region of [O III]λ4363/Hγ vs [Ne III]/[O II] diagram and found that they have slightly stronger C III]λ1908 fluxes and equivalent width when landing in the BLAGN region. However, the cause of this higher ionization is unclear. Additionally, we find that BLAGN are characterized by a higher ionization (at constant electron temperature) compared to non-broad line galaxies. © 2025, CC BY.

关键词： Cosmology

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