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Showing papers by "ETH Zurich published in 2020"


Journal ArticleDOI
TL;DR: In this article, the international 14C calibration curves for both the Northern and Southern Hemispheres, as well as for the ocean surface layer, have been updated to include a wealth of new data and extended to 55,000 cal BP.
Abstract: Radiocarbon (14C) ages cannot provide absolutely dated chronologies for archaeological or paleoenvironmental studies directly but must be converted to calendar age equivalents using a calibration curve compensating for fluctuations in atmospheric 14C concentration. Although calibration curves are constructed from independently dated archives, they invariably require revision as new data become available and our understanding of the Earth system improves. In this volume the international 14C calibration curves for both the Northern and Southern Hemispheres, as well as for the ocean surface layer, have been updated to include a wealth of new data and extended to 55,000 cal BP. Based on tree rings, IntCal20 now extends as a fully atmospheric record to ca. 13,900 cal BP. For the older part of the timescale, IntCal20 comprises statistically integrated evidence from floating tree-ring chronologies, lacustrine and marine sediments, speleothems, and corals. We utilized improved evaluation of the timescales and location variable 14C offsets from the atmosphere (reservoir age, dead carbon fraction) for each dataset. New statistical methods have refined the structure of the calibration curves while maintaining a robust treatment of uncertainties in the 14C ages, the calendar ages and other corrections. The inclusion of modeled marine reservoir ages derived from a three-dimensional ocean circulation model has allowed us to apply more appropriate reservoir corrections to the marine 14C data rather than the previous use of constant regional offsets from the atmosphere. Here we provide an overview of the new and revised datasets and the associated methods used for the construction of the IntCal20 curve and explore potential regional offsets for tree-ring data. We discuss the main differences with respect to the previous calibration curve, IntCal13, and some of the implications for archaeology and geosciences ranging from the recent past to the time of the extinction of the Neanderthals.

2,800 citations


Journal ArticleDOI
Pierre Friedlingstein1, Pierre Friedlingstein2, Michael O'Sullivan1, Matthew W. Jones3, Robbie M. Andrew, Judith Hauck, Are Olsen, Glen P. Peters, Wouter Peters4, Wouter Peters5, Julia Pongratz6, Julia Pongratz7, Stephen Sitch2, Corinne Le Quéré3, Josep G. Canadell8, Philippe Ciais9, Robert B. Jackson10, Simone R. Alin11, Luiz E. O. C. Aragão2, Luiz E. O. C. Aragão12, Almut Arneth, Vivek K. Arora, Nicholas R. Bates13, Nicholas R. Bates14, Meike Becker, Alice Benoit-Cattin, Henry C. Bittig, Laurent Bopp15, Selma Bultan7, Naveen Chandra16, Naveen Chandra17, Frédéric Chevallier9, Louise Chini18, Wiley Evans, Liesbeth Florentie4, Piers M. Forster19, Thomas Gasser20, Marion Gehlen9, Dennis Gilfillan, Thanos Gkritzalis21, Luke Gregor22, Nicolas Gruber22, Ian Harris23, Kerstin Hartung7, Kerstin Hartung24, Vanessa Haverd8, Richard A. Houghton25, Tatiana Ilyina6, Atul K. Jain26, Emilie Joetzjer27, Koji Kadono28, Etsushi Kato, Vassilis Kitidis29, Jan Ivar Korsbakken, Peter Landschützer6, Nathalie Lefèvre30, Andrew Lenton31, Sebastian Lienert32, Zhu Liu33, Danica Lombardozzi34, Gregg Marland35, Nicolas Metzl30, David R. Munro36, David R. Munro11, Julia E. M. S. Nabel6, S. Nakaoka16, Yosuke Niwa16, Kevin D. O'Brien37, Kevin D. O'Brien11, Tsuneo Ono, Paul I. Palmer, Denis Pierrot38, Benjamin Poulter, Laure Resplandy39, Eddy Robertson40, Christian Rödenbeck6, Jörg Schwinger, Roland Séférian27, Ingunn Skjelvan, Adam J. P. Smith3, Adrienne J. Sutton11, Toste Tanhua41, Pieter P. Tans11, Hanqin Tian42, Bronte Tilbrook31, Bronte Tilbrook43, Guido R. van der Werf44, N. Vuichard9, Anthony P. Walker45, Rik Wanninkhof38, Andrew J. Watson2, David R. Willis23, Andy Wiltshire40, Wenping Yuan46, Xu Yue47, Sönke Zaehle6 
École Normale Supérieure1, University of Exeter2, Norwich Research Park3, Wageningen University and Research Centre4, University of Groningen5, Max Planck Society6, Ludwig Maximilian University of Munich7, Commonwealth Scientific and Industrial Research Organisation8, Université Paris-Saclay9, Stanford University10, National Oceanic and Atmospheric Administration11, National Institute for Space Research12, Bermuda Institute of Ocean Sciences13, University of Southampton14, PSL Research University15, National Institute for Environmental Studies16, Japan Agency for Marine-Earth Science and Technology17, University of Maryland, College Park18, University of Leeds19, International Institute of Minnesota20, Flanders Marine Institute21, ETH Zurich22, University of East Anglia23, German Aerospace Center24, Woods Hole Research Center25, University of Illinois at Urbana–Champaign26, University of Toulouse27, Japan Meteorological Agency28, Plymouth Marine Laboratory29, University of Paris30, Hobart Corporation31, Oeschger Centre for Climate Change Research32, Tsinghua University33, National Center for Atmospheric Research34, Appalachian State University35, University of Colorado Boulder36, University of Washington37, Atlantic Oceanographic and Meteorological Laboratory38, Princeton University39, Met Office40, Leibniz Institute of Marine Sciences41, Auburn University42, University of Tasmania43, VU University Amsterdam44, Oak Ridge National Laboratory45, Sun Yat-sen University46, Nanjing University47
TL;DR: In this paper, the authors describe and synthesize data sets and methodology to quantify the five major components of the global carbon budget and their uncertainties, including emissions from land use and land-use change data and bookkeeping models.
Abstract: Accurate assessment of anthropogenic carbon dioxide (CO2) emissions and their redistribution among the atmosphere, ocean, and terrestrial biosphere in a changing climate – the “global carbon budget” – is important to better understand the global carbon cycle, support the development of climate policies, and project future climate change. Here we describe and synthesize data sets and methodology to quantify the five major components of the global carbon budget and their uncertainties. Fossil CO2 emissions (EFOS) are based on energy statistics and cement production data, while emissions from land-use change (ELUC), mainly deforestation, are based on land use and land-use change data and bookkeeping models. Atmospheric CO2 concentration is measured directly and its growth rate (GATM) is computed from the annual changes in concentration. The ocean CO2 sink (SOCEAN) and terrestrial CO2 sink (SLAND) are estimated with global process models constrained by observations. The resulting carbon budget imbalance (BIM), the difference between the estimated total emissions and the estimated changes in the atmosphere, ocean, and terrestrial biosphere, is a measure of imperfect data and understanding of the contemporary carbon cycle. All uncertainties are reported as ±1σ. For the last decade available (2010–2019), EFOS was 9.6 ± 0.5 GtC yr−1 excluding the cement carbonation sink (9.4 ± 0.5 GtC yr−1 when the cement carbonation sink is included), and ELUC was 1.6 ± 0.7 GtC yr−1. For the same decade, GATM was 5.1 ± 0.02 GtC yr−1 (2.4 ± 0.01 ppm yr−1), SOCEAN 2.5 ± 0.6 GtC yr−1, and SLAND 3.4 ± 0.9 GtC yr−1, with a budget imbalance BIM of −0.1 GtC yr−1 indicating a near balance between estimated sources and sinks over the last decade. For the year 2019 alone, the growth in EFOS was only about 0.1 % with fossil emissions increasing to 9.9 ± 0.5 GtC yr−1 excluding the cement carbonation sink (9.7 ± 0.5 GtC yr−1 when cement carbonation sink is included), and ELUC was 1.8 ± 0.7 GtC yr−1, for total anthropogenic CO2 emissions of 11.5 ± 0.9 GtC yr−1 (42.2 ± 3.3 GtCO2). Also for 2019, GATM was 5.4 ± 0.2 GtC yr−1 (2.5 ± 0.1 ppm yr−1), SOCEAN was 2.6 ± 0.6 GtC yr−1, and SLAND was 3.1 ± 1.2 GtC yr−1, with a BIM of 0.3 GtC. The global atmospheric CO2 concentration reached 409.85 ± 0.1 ppm averaged over 2019. Preliminary data for 2020, accounting for the COVID-19-induced changes in emissions, suggest a decrease in EFOS relative to 2019 of about −7 % (median estimate) based on individual estimates from four studies of −6 %, −7 %, −7 % (−3 % to −11 %), and −13 %. Overall, the mean and trend in the components of the global carbon budget are consistently estimated over the period 1959–2019, but discrepancies of up to 1 GtC yr−1 persist for the representation of semi-decadal variability in CO2 fluxes. Comparison of estimates from diverse approaches and observations shows (1) no consensus in the mean and trend in land-use change emissions over the last decade, (2) a persistent low agreement between the different methods on the magnitude of the land CO2 flux in the northern extra-tropics, and (3) an apparent discrepancy between the different methods for the ocean sink outside the tropics, particularly in the Southern Ocean. This living data update documents changes in the methods and data sets used in this new global carbon budget and the progress in understanding of the global carbon cycle compared with previous publications of this data set (Friedlingstein et al., 2019; Le Quere et al., 2018b, a, 2016, 2015b, a, 2014, 2013). The data presented in this work are available at https://doi.org/10.18160/gcp-2020 (Friedlingstein et al., 2020).

1,764 citations


Journal ArticleDOI
13 Nov 2020-Science
TL;DR: It is found that neuropilin-1 (NRP1), known to bind furin-cleaved substrates, significantly potentiates SARS-CoV-2 infectivity, an effect blocked by a monoclonal blocking antibody against NRP1.
Abstract: The causative agent of coronavirus disease 2019 (COVID-19) is the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). For many viruses, tissue tropism is determined by the availability of virus receptors and entry cofactors on the surface of host cells. In this study, we found that neuropilin-1 (NRP1), known to bind furin-cleaved substrates, significantly potentiates SARS-CoV-2 infectivity, an effect blocked by a monoclonal blocking antibody against NRP1. A SARS-CoV-2 mutant with an altered furin cleavage site did not depend on NRP1 for infectivity. Pathological analysis of olfactory epithelium obtained from human COVID-19 autopsies revealed that SARS-CoV-2 infected NRP1-positive cells facing the nasal cavity. Our data provide insight into SARS-CoV-2 cell infectivity and define a potential target for antiviral intervention.

1,304 citations


Journal ArticleDOI
TL;DR: CP2K as discussed by the authors is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems, especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-the-art ab initio molecular dynamics simulations.
Abstract: CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-the-art ab initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post–Hartree–Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension.

938 citations


Journal ArticleDOI
13 Nov 2020-Science
TL;DR: It is shown that neuropilin-1 (NRP1), which is known to bind furin-cleaved substrates, potentiates SARS-CoV-2 infectivity and serves as a host factor for Sars-Cov-2 infection and may potentially provide a therapeutic target for COVID-19.
Abstract: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the causative agent of coronavirus disease 2019 (COVID-19), uses the viral spike (S) protein for host cell attachment and entry. The host protease furin cleaves the full-length precursor S glycoprotein into two associated polypeptides: S1 and S2. Cleavage of S generates a polybasic Arg-Arg-Ala-Arg carboxyl-terminal sequence on S1, which conforms to a C-end rule (CendR) motif that binds to cell surface neuropilin-1 (NRP1) and NRP2 receptors. We used x-ray crystallography and biochemical approaches to show that the S1 CendR motif directly bound NRP1. Blocking this interaction by RNA interference or selective inhibitors reduced SARS-CoV-2 entry and infectivity in cell culture. NRP1 thus serves as a host factor for SARS-CoV-2 infection and may potentially provide a therapeutic target for COVID-19.

884 citations


Journal ArticleDOI
Jens Kattge1, Gerhard Bönisch2, Sandra Díaz3, Sandra Lavorel  +751 moreInstitutions (314)
TL;DR: The extent of the trait data compiled in TRY is evaluated and emerging patterns of data coverage and representativeness are analyzed to conclude that reducing data gaps and biases in the TRY database remains a key challenge and requires a coordinated approach to data mobilization and trait measurements.
Abstract: Plant traits-the morphological, anatomical, physiological, biochemical and phenological characteristics of plants-determine how plants respond to environmental factors, affect other trophic levels, and influence ecosystem properties and their benefits and detriments to people. Plant trait data thus represent the basis for a vast area of research spanning from evolutionary biology, community and functional ecology, to biodiversity conservation, ecosystem and landscape management, restoration, biogeography and earth system modelling. Since its foundation in 2007, the TRY database of plant traits has grown continuously. It now provides unprecedented data coverage under an open access data policy and is the main plant trait database used by the research community worldwide. Increasingly, the TRY database also supports new frontiers of trait-based plant research, including the identification of data gaps and the subsequent mobilization or measurement of new data. To support this development, in this article we evaluate the extent of the trait data compiled in TRY and analyse emerging patterns of data coverage and representativeness. Best species coverage is achieved for categorical traits-almost complete coverage for 'plant growth form'. However, most traits relevant for ecology and vegetation modelling are characterized by continuous intraspecific variation and trait-environmental relationships. These traits have to be measured on individual plants in their respective environment. Despite unprecedented data coverage, we observe a humbling lack of completeness and representativeness of these continuous traits in many aspects. We, therefore, conclude that reducing data gaps and biases in the TRY database remains a key challenge and requires a coordinated approach to data mobilization and trait measurements. This can only be achieved in collaboration with other initiatives.

882 citations


Journal ArticleDOI
13 Apr 2020-ACS Nano
TL;DR: Insight is gained into the thermoplasmonic enhancement and its applicability in the nucleic acid tests and viral disease diagnosis and an alternative and promising solution for the clinical COVID-19 diagnosis is provided.
Abstract: The ongoing outbreak of the novel coronavirus disease (COVID-19) has spread globally and poses a threat to public health in more than 200 countries. Reliable laboratory diagnosis of the disease has been one of the foremost priorities for promoting public health interventions. The routinely used reverse transcription polymerase chain reaction (RT-PCR) is currently the reference method for COVID-19 diagnosis. However, it also reported a number of false-positive or -negative cases, especially in the early stages of the novel virus outbreak. In this work, a dual-functional plasmonic biosensor combining the plasmonic photothermal (PPT) effect and localized surface plasmon resonance (LSPR) sensing transduction provides an alternative and promising solution for the clinical COVID-19 diagnosis. The two-dimensional gold nanoislands (AuNIs) functionalized with complementary DNA receptors can perform a sensitive detection of the selected sequences from severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) through nucleic acid hybridization. For better sensing performance, the thermoplasmonic heat is generated on the same AuNIs chip when illuminated at their plasmonic resonance frequency. The localized PPT heat is capable to elevate the in situ hybridization temperature and facilitate the accurate discrimination of two similar gene sequences. Our dual-functional LSPR biosensor exhibits a high sensitivity toward the selected SARS-CoV-2 sequences with a lower detection limit down to the concentration of 0.22 pM and allows precise detection of the specific target in a multigene mixture. This study gains insight into the thermoplasmonic enhancement and its applicability in the nucleic acid tests and viral disease diagnosis.

796 citations


Journal ArticleDOI
23 Jul 2020-PLOS ONE
TL;DR: The results indicate the importance of considering social contacts in students’ mental health and offer starting points to identify and support students at higher risk of social isolation and negative psychological effects during the COVID-19 pandemic.
Abstract: This study investigates students' social networks and mental health before and at the time of the COVID-19 pandemic in April 2020, using longitudinal data collected since 2018. We analyze change on multiple dimensions of social networks (interaction, friendship, social support, co-studying) and mental health indicators (depression, anxiety, stress, loneliness) within two cohorts of Swiss undergraduate students experiencing the crisis (N = 212), and make additional comparisons to an earlier cohort which did not experience the crisis (N = 54). In within-person comparisons we find that interaction and co-studying networks had become sparser, and more students were studying alone. Furthermore, students' levels of stress, anxiety, loneliness, and depressive symptoms got worse, compared to measures before the crisis. Stressors shifted from fears of missing out on social life to worries about health, family, friends, and their future. Exploratory analyses suggest that COVID-19 specific worries, isolation in social networks, lack of interaction and emotional support, and physical isolation were associated with negative mental health trajectories. Female students appeared to have worse mental health trajectories when controlling for different levels of social integration and COVID-19 related stressors. As universities and researchers discuss future strategies on how to combine on-site teaching with online courses, our results indicate the importance of considering social contacts in students' mental health and offer starting points to identify and support students at higher risk of social isolation and negative psychological effects during the COVID-19 pandemic.

786 citations


Book
09 Oct 2020
TL;DR: This book gives an introduction to the most important concepts of MATSim and describes how the basic functionality can be extended by adding schedule-based public transit, electric or autonomous cars, paratransit, or within-day replanning.
Abstract: The MATSim (Multi-Agent Transport Simulation) software project was started around 2006 with the goal of generating traffic and congestion patterns by following individual synthetic travelers through their daily or weekly activity programme. It has since then evolved from a collection of stand-alone C++ programs to an integrated Java-based framework which is publicly hosted, open-source available, automatically regression tested. It is currently used by about 40 groups throughout the world. This book takes stock of the current status. The first part of the book gives an introduction to the most important concepts, with the intention of enabling a potential user to set up and run basic simulations. The second part of the book describes how the basic functionality can be extended, for example by adding schedule-based public transit, electric or autonomous cars, paratransit, or within-day replanning. For each extension, the text provides pointers to the additional documentation and to the code base. It is also discussed how people with appropriate Java programming skills can write their own extensions, and plug them into the MATSim core. The project has started from the basic idea that traffic is a consequence of human behavior, and thus humans and their behavior should be the starting point of all modelling, and with the intuition that when simulations with 100 million particles are possible in computational physics, then behavior-oriented simulations with 10 million travelers should be possible in travel behavior research. The initial implementations thus combined concepts from computational physics and complex adaptive systems with concepts from travel behavior research. The third part of the book looks at theoretical concepts that are able to describe important aspects of the simulation system; for example, under certain conditions the code becomes a Monte Carlo engine sampling from a discrete choice model. Another important aspect is the interpretation of the MATSim score as utility in the microeconomic sense, opening up a connection to benefit cost analysis. Finally, the book collects use cases as they have been undertaken with MATSim. All current users of MATSim were invited to submit their work, and many followed with sometimes crisp and short and sometimes longer contributions, always with pointers to additional references. We hope that the book will become an invitation to explore, to build and to extend agent-based modeling of travel behavior from the stable and well tested core of MATSim documented here.

725 citations


Journal ArticleDOI
TL;DR: This paper provides a comprehensive overview of the emerging field of event-based vision, with a focus on the applications and the algorithms developed to unlock the outstanding properties of event cameras.
Abstract: Event cameras are bio-inspired sensors that differ from conventional frame cameras: Instead of capturing images at a fixed rate, they asynchronously measure per-pixel brightness changes, and output a stream of events that encode the time, location and sign of the brightness changes. Event cameras offer attractive properties compared to traditional cameras: high temporal resolution (in the order of is), very high dynamic range (140dB vs. 60dB), low power consumption, and high pixel bandwidth (on the order of kHz) resulting in reduced motion blur. Hence, event cameras have a large potential for robotics and computer vision in challenging scenarios for traditional cameras, such as low-latency, high speed, and high dynamic range. However, novel methods are required to process the unconventional output of these sensors in order to unlock their potential. This paper provides a comprehensive overview of the emerging field of event-based vision, with a focus on the applications and the algorithms developed to unlock the outstanding properties of event cameras. We present event cameras from their working principle, the actual sensors that are available and the tasks that they have been used for, from low-level vision (feature detection and tracking, optic flow, etc.) to high-level vision (reconstruction, segmentation, recognition). We also discuss the techniques developed to process events, including learning-based techniques, as well as specialized processors for these novel sensors, such as spiking neural networks. Additionally, we highlight the challenges that remain to be tackled and the opportunities that lie ahead in the search for a more efficient, bio-inspired way for machines to perceive and interact with the world.

697 citations


Journal ArticleDOI
Gilberto Pastorello1, Carlo Trotta2, E. Canfora2, Housen Chu1  +300 moreInstitutions (119)
TL;DR: The FLUXNET2015 dataset provides ecosystem-scale data on CO 2 , water, and energy exchange between the biosphere and the atmosphere, and other meteorological and biological measurements, from 212 sites around the globe, and is detailed in this paper.
Abstract: The FLUXNET2015 dataset provides ecosystem-scale data on CO2, water, and energy exchange between the biosphere and the atmosphere, and other meteorological and biological measurements, from 212 sites around the globe (over 1500 site-years, up to and including year 2014). These sites, independently managed and operated, voluntarily contributed their data to create global datasets. Data were quality controlled and processed using uniform methods, to improve consistency and intercomparability across sites. The dataset is already being used in a number of applications, including ecophysiology studies, remote sensing studies, and development of ecosystem and Earth system models. FLUXNET2015 includes derived-data products, such as gap-filled time series, ecosystem respiration and photosynthetic uptake estimates, estimation of uncertainties, and metadata about the measurements, presented for the first time in this paper. In addition, 206 of these sites are for the first time distributed under a Creative Commons (CC-BY 4.0) license. This paper details this enhanced dataset and the processing methods, now made available as open-source codes, making the dataset more accessible, transparent, and reproducible.

Journal ArticleDOI
TL;DR: This compendium is for established researchers, newcomers, and students alike, highlighting interesting and rewarding problems for the coming years in single-cell data science.
Abstract: The recent boom in microfluidics and combinatorial indexing strategies, combined with low sequencing costs, has empowered single-cell sequencing technology. Thousands-or even millions-of cells analyzed in a single experiment amount to a data revolution in single-cell biology and pose unique data science problems. Here, we outline eleven challenges that will be central to bringing this emerging field of single-cell data science forward. For each challenge, we highlight motivating research questions, review prior work, and formulate open problems. This compendium is for established researchers, newcomers, and students alike, highlighting interesting and rewarding problems for the coming years.

Proceedings ArticleDOI
14 Jun 2020
TL;DR: SuperGlue is introduced, a neural network that matches two sets of local features by jointly finding correspondences and rejecting non-matchable points and introduces a flexible context aggregation mechanism based on attention, enabling SuperGlue to reason about the underlying 3D scene and feature assignments jointly.
Abstract: This paper introduces SuperGlue, a neural network that matches two sets of local features by jointly finding correspondences and rejecting non-matchable points. Assignments are estimated by solving a differentiable optimal transport problem, whose costs are predicted by a graph neural network. We introduce a flexible context aggregation mechanism based on attention, enabling SuperGlue to reason about the underlying 3D scene and feature assignments jointly. Compared to traditional, hand-designed heuristics, our technique learns priors over geometric transformations and regularities of the 3D world through end-to-end training from image pairs. SuperGlue outperforms other learned approaches and achieves state-of-the-art results on the task of pose estimation in challenging real-world indoor and outdoor environments. The proposed method performs matching in real-time on a modern GPU and can be readily integrated into modern SfM or SLAM systems. The code and trained weights are publicly available at github.com/magicleap/SuperGluePretrainedNetwork.

Journal ArticleDOI
TL;DR: This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations and puts the emphasis on density functional theory and multiple post-Hartree-Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension.
Abstract: CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parallel and linear-scaling electronic structure methods and state-of-the-art ab-initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2k to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post-Hartree-Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension.

Journal ArticleDOI
TL;DR: The authors highlight the role of bottom-up movements to overcome structural economic growth imperatives spurring consumption by changing structures and culture towards safe and just systems.
Abstract: For over half a century, worldwide growth in affluence has continuously increased resource use and pollutant emissions far more rapidly than these have been reduced through better technology The affluent citizens of the world are responsible for most environmental impacts and are central to any future prospect of retreating to safer environmental conditions We summarise the evidence and present possible solution approaches Any transition towards sustainability can only be effective if far-reaching lifestyle changes complement technological advancements However, existing societies, economies and cultures incite consumption expansion and the structural imperative for growth in competitive market economies inhibits necessary societal change

Journal ArticleDOI
21 Oct 2020
TL;DR: The presented work indicates that robust locomotion in natural environments can be achieved by training in simple domains.
Abstract: Legged locomotion can extend the operational domain of robots to some of the most challenging environments on Earth. However, conventional controllers for legged locomotion are based on elaborate state machines that explicitly trigger the execution of motion primitives and reflexes. These designs have increased in complexity but fallen short of the generality and robustness of animal locomotion. Here, we present a robust controller for blind quadrupedal locomotion in challenging natural environments. Our approach incorporates proprioceptive feedback in locomotion control and demonstrates zero-shot generalization from simulation to natural environments. The controller is trained by reinforcement learning in simulation. The controller is driven by a neural network policy that acts on a stream of proprioceptive signals. The controller retains its robustness under conditions that were never encountered during training: deformable terrains such as mud and snow, dynamic footholds such as rubble, and overground impediments such as thick vegetation and gushing water. The presented work indicates that robust locomotion in natural environments can be achieved by training in simple domains.

Journal ArticleDOI
TL;DR: Fundamental ML methodologies are outlined and their uses for understanding, modeling, optimizing, and controlling fluid flows are discussed and the strengths and limitations of these methods are addressed.
Abstract: The field of fluid mechanics is rapidly advancing, driven by unprecedented volumes of data from experiments, field measurements, and large-scale simulations at multiple spatiotemporal scales. Machi...

Journal ArticleDOI
TL;DR: In this article, the Southern Hemisphere curve (SHCal20) is proposed to estimate the mean Southern Hemisphere offset to be 36 ± 27 14C yrs older than the Northern Hemisphere offset, based upon a comparison of Southern Hemisphere tree-ring data compared with contemporaneous Northern Hemisphere data.
Abstract: Early researchers of radiocarbon levels in Southern Hemisphere tree rings identified a variable North-South hemispheric offset, necessitating construction of a separate radiocarbon calibration curve for the South. We present here SHCal20, a revised calibration curve from 0–55,000 cal BP, based upon SHCal13 and fortified by the addition of 14 new tree-ring data sets in the 2140–0, 3520–3453, 3608–3590 and 13,140–11,375 cal BP time intervals. We detail the statistical approaches used for curve construction and present recommendations for the use of the Northern Hemisphere curve (IntCal20), the Southern Hemisphere curve (SHCal20) and suggest where application of an equal mixture of the curves might be more appropriate. Using our Bayesian spline with errors-in-variables methodology, and based upon a comparison of Southern Hemisphere tree-ring data compared with contemporaneous Northern Hemisphere data, we estimate the mean Southern Hemisphere offset to be 36 ± 27 14C yrs older.

Journal ArticleDOI
TL;DR: A compositional encyclopedia of SACs is provided, celebrating the 10th anniversary of the introduction of this term, and examines the coordination structures and associated properties accessed through distinct single-atom-host combinations and relate them to their main applications in thermo-, electro-, and photocatalysis.
Abstract: Isolated atoms featuring unique reactivity are at the heart of enzymatic and homogeneous catalysts. In contrast, although the concept has long existed, single-atom heterogeneous catalysts (SACs) have only recently gained prominence. Host materials have similar functions to ligands in homogeneous catalysts, determining the stability, local environment, and electronic properties of isolated atoms and thus providing a platform for tailoring heterogeneous catalysts for targeted applications. Within just a decade, we have witnessed many examples of SACs both disrupting diverse fields of heterogeneous catalysis with their distinctive reactivity and substantially enriching our understanding of molecular processes on surfaces. To date, the term SAC mostly refers to late transition metal-based systems, but numerous examples exist in which isolated atoms of other elements play key catalytic roles. This review provides a compositional encyclopedia of SACs, celebrating the 10th anniversary of the introduction of this term. By defining single-atom catalysis in the broadest sense, we explore the full elemental diversity, joining different areas across the whole periodic table, and discussing historical milestones and recent developments. In particular, we examine the coordination structures and associated properties accessed through distinct single-atom-host combinations and relate them to their main applications in thermo-, electro-, and photocatalysis, revealing trends in element-specific evolution, host design, and uses. Finally, we highlight frontiers in the field, including multimetallic SACs, atom proximity control, and possible applications for multistep and cascade reactions, identifying challenges, and propose directions for future development in this flourishing field.

Journal ArticleDOI
TL;DR: In this article, the authors provide a materials and structural perspective on how wood can be redesigned via structural engineering, chemical and/or thermal modification to alter its mechanical, fluidic, ionic, optical and thermal properties.
Abstract: The complex structure of wood, one of the most abundant biomaterials on Earth, has been optimized over 270 million years of tree evolution. This optimization has led to the highly efficient water and nutrient transport, mechanical stability and durability of wood. The unique material structure and pronounced anisotropy of wood endows it with an array of remarkable properties, yielding opportunities for the design of functional materials. In this Review, we provide a materials and structural perspective on how wood can be redesigned via structural engineering, chemical and/or thermal modification to alter its mechanical, fluidic, ionic, optical and thermal properties. These modifications enable a diverse range of applications, including the development of high-performance structural materials, energy storage and conversion, environmental remediation, nanoionics, nanofluidics, and light and thermal management. We also highlight advanced characterization and computational-simulation approaches for understanding the structure–property–function relationships of natural and modified wood, as well as informing bio-inspired synthetic designs. In addition, we provide our perspective on the future directions of wood research and the challenges and opportunities for industrialization. The porous hierarchical structure and anisotropy of wood make it a strong candidate for the design of materials with various functions, including load bearing, multiscale mass transport, and optical and thermal management. In this Review, the composition, structure, characterization methods, modification strategies, properties and applications of natural and modified wood are discussed.

Journal ArticleDOI
TL;DR: Wannier90 as mentioned in this paper is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states, which is interfaced to many widely used electronic-structure codes thanks to its independence from the basis sets representing these BLoch states.
Abstract: Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronic-structure codes thanks to its independence from the basis sets representing these Bloch states. In the past few years the development of Wannier90 has transitioned to a community-driven model; this has resulted in a number of new developments that have been recently released in Wannier90 v3.0. In this article we describe these new functionalities, that include the implementation of new features for wannierisation and disentanglement (symmetry-adapted Wannier functions, selectively-localised Wannier functions, selected columns of the density matrix) and the ability to calculate new properties (shift currents and Berry-curvature dipole, and a new interface to many-body perturbation theory); performance improvements, including parallelisation of the core code; enhancements in functionality (support for spinor-valued Wannier functions, more accurate methods to interpolate quantities in the Brillouin zone); improved usability (improved plotting routines, integration with high-throughput automation frameworks), as well as the implementation of modern software engineering practices (unit testing, continuous integration, and automatic source-code documentation). These new features, capabilities, and code development model aim to further sustain and expand the community uptake and range of applicability, that nowadays spans complex and accurate dielectric, electronic, magnetic, optical, topological and transport properties of materials.

Journal ArticleDOI
TL;DR: This study clearly demonstrates that PFAS are used in almost all industry branches and many consumer products, and more than 200 use categories and subcategories are identified for more than 1400 individual PFAS.
Abstract: Per- and polyfluoroalkyl substances (PFAS) are of concern because of their high persistence (or that of their degradation products) and their impacts on human and environmental health that are known or can be deduced from some well-studied PFAS. Currently, many different PFAS (on the order of several thousands) are used in a wide range of applications, and there is no comprehensive source of information on the many individual substances and their functions in different applications. Here we provide a broad overview of many use categories where PFAS have been employed and for which function; we also specify which PFAS have been used and discuss the magnitude of the uses. Despite being non-exhaustive, our study clearly demonstrates that PFAS are used in almost all industry branches and many consumer products. In total, more than 200 use categories and subcategories are identified for more than 1400 individual PFAS. In addition to well-known categories such as textile impregnation, fire-fighting foam, and electroplating, the identified use categories also include many categories not described in the scientific literature, including PFAS in ammunition, climbing ropes, guitar strings, artificial turf, and soil remediation. We further discuss several use categories that may be prioritised for finding PFAS-free alternatives. Besides the detailed description of use categories, the present study also provides a list of the identified PFAS per use category, including their exact masses for future analytical studies aiming to identify additional PFAS.

Journal ArticleDOI
TL;DR: In this paper, the authors provided the greenhouse gas concentrations for these SSP scenarios, using the reduced-complexity climate-carbon-cycle model MAGICC7.0, and extended historical, observationally based concentration data with SSP trajectory projections from 2015 to 2500 for 43 greenhouse gases with monthly and latitudinal resolution.
Abstract: . Anthropogenic increases in atmospheric greenhouse gas concentrations are the main driver of current and future climate change. The integrated assessment community has quantified anthropogenic emissions for the shared socio-economic pathway (SSP) scenarios, each of which represents a different future socio-economic projection and political environment. Here, we provide the greenhouse gas concentrations for these SSP scenarios – using the reduced-complexity climate–carbon-cycle model MAGICC7.0. We extend historical, observationally based concentration data with SSP concentration projections from 2015 to 2500 for 43 greenhouse gases with monthly and latitudinal resolution. CO2 concentrations by 2100 range from 393 to 1135 ppm for the lowest (SSP1-1.9) and highest (SSP5-8.5) emission scenarios, respectively. We also provide the concentration extensions beyond 2100 based on assumptions regarding the trajectories of fossil fuels and land use change emissions, net negative emissions, and the fraction of non- CO2 emissions. By 2150, CO2 concentrations in the lowest emission scenario are approximately 350 ppm and approximately plateau at that level until 2500, whereas the highest fossil-fuel-driven scenario projects CO2 concentrations of 1737 ppm and reaches concentrations beyond 2000 ppm by 2250. We estimate that the share of CO2 in the total radiative forcing contribution of all considered 43 long-lived greenhouse gases increases from 66 % for the present day to roughly 68 % to 85 % by the time of maximum forcing in the 21st century. For this estimation, we updated simple radiative forcing parameterizations that reflect the Oslo Line-By-Line model results. In comparison to the representative concentration pathways (RCPs), the five main SSPs (SSP1-1.9, SSP1-2.6, SSP2-4.5, SSP3-7.0, and SSP5-8.5) are more evenly spaced and extend to lower 2100 radiative forcing and temperatures. Performing two pairs of six-member historical ensembles with CESM1.2.2, we estimate the effect on surface air temperatures of applying latitudinally and seasonally resolved GHG concentrations. We find that the ensemble differences in the March–April–May (MAM) season provide a regional warming in higher northern latitudes of up to 0.4 K over the historical period, latitudinally averaged of about 0.1 K, which we estimate to be comparable to the upper bound ( ∼5 % level) of natural variability. In comparison to the comparatively straight line of the last 2000 years, the greenhouse gas concentrations since the onset of the industrial period and this studies' projections over the next 100 to 500 years unequivocally depict a “hockey-stick” upwards shape. The SSP concentration time series derived in this study provide a harmonized set of input assumptions for long-term climate science analysis; they also provide an indication of the wide set of futures that societal developments and policy implementations can lead to – ranging from multiple degrees of future warming on the one side to approximately 1.5 ∘ C warming on the other.

Journal ArticleDOI
TL;DR: In this article, a collection of initial-condition large ensembles (LEs) generated with seven Earth system models under historical and future radiative forcing scenarios provides new insights into uncertainties due to internal variability versus model differences.
Abstract: Internal variability in the climate system confounds assessment of human-induced climate change and imposes irreducible limits on the accuracy of climate change projections, especially at regional and decadal scales. A new collection of initial-condition large ensembles (LEs) generated with seven Earth system models under historical and future radiative forcing scenarios provides new insights into uncertainties due to internal variability versus model differences. These data enhance the assessment of climate change risks, including extreme events, and offer a powerful testbed for new methodologies aimed at separating forced signals from internal variability in the observational record. Opportunities and challenges confronting the design and dissemination of future LEs, including increased spatial resolution and model complexity alongside emerging Earth system applications, are discussed. Climate change detection is confounded by internal variability, but recent initial-condition large ensembles (LEs) have begun addressing this issue. This Perspective discusses the value of multi-model LEs, the challenges of providing them and their role in future climate change research.

Journal ArticleDOI
18 Aug 2020
TL;DR: In this article, the potential of spintronics in four key areas of application (memory, sensors, microwave devices, and logic devices) is examined and the challenges that need to be addressed in order to integrate spintronic materials and functionalities into mainstream microelectronic platforms.
Abstract: Spintronic devices exploit the spin, as well as the charge, of electrons and could bring new capabilities to the microelectronics industry However, in order for spintronic devices to meet the ever-increasing demands of the industry, innovation in terms of materials, processes and circuits are required Here, we review recent developments in spintronics that could soon have an impact on the microelectronics and information technology industry We highlight and explore four key areas: magnetic memories, magnetic sensors, radio-frequency and microwave devices, and logic and non-Boolean devices We also discuss the challenges—at both the device and the system level—that need be addressed in order to integrate spintronic materials and functionalities into mainstream microelectronic platforms This Review Article examines the potential of spintronics in four key areas of application —memories, sensors, microwave devices, and logic devices — and discusses the challenges that need be addressed in order to integrate spintronic materials and functionalities into mainstream microelectronic platforms

Journal ArticleDOI
Sean Walkowiak1, Sean Walkowiak2, Liangliang Gao3, Cécile Monat4, Georg Haberer, Mulualem T. Kassa5, Jemima Brinton6, Ricardo H. Ramirez-Gonzalez6, Markus C. Kolodziej7, Emily Delorean3, Dinushika Thambugala8, Valentyna Klymiuk1, Brook Byrns1, Heidrun Gundlach, Venkat Bandi1, Jorge Nunez Siri1, Kirby T. Nilsen1, Catharine Aquino, Axel Himmelbach4, Dario Copetti9, Dario Copetti7, Tomohiro Ban10, Luca Venturini11, Michael W. Bevan6, Bernardo J. Clavijo6, Dal-Hoe Koo3, Jennifer Ens1, Krystalee Wiebe1, Amidou N’Diaye1, Allen K. Fritz3, Carl Gutwin1, Anne Fiebig4, Christine Fosker6, Bin Xiao Fu2, Gonzalo Garcia Accinelli6, Keith A. Gardner, Nick Fradgley, Juan J. Gutierrez-Gonzalez12, Gwyneth Halstead-Nussloch7, Masaomi Hatakeyama7, Chu Shin Koh1, Jasline Deek13, Alejandro C. Costamagna14, Pierre R. Fobert5, Darren Heavens6, Hiroyuki Kanamori, Kanako Kawaura10, Fuminori Kobayashi, Ksenia V. Krasileva6, Tony Kuo15, Tony Kuo16, Neil McKenzie6, Kazuki Murata17, Yusuke Nabeka17, Timothy Paape7, Sudharsan Padmarasu4, Lawrence Percival-Alwyn, Sateesh Kagale5, Uwe Scholz4, Jun Sese15, Philomin Juliana18, Ravi P. Singh18, Rie Shimizu-Inatsugi7, David Swarbreck6, James Cockram, Hikmet Budak, Toshiaki Tameshige10, Tsuyoshi Tanaka, Hiroyuki Tsuji10, Jonathan M. Wright6, Jianzhong Wu, Burkhard Steuernagel6, Ian Small19, Sylvie Cloutier8, Gabriel Keeble-Gagnère, Gary J. Muehlbauer12, Josquin Tibbets, Shuhei Nasuda17, Joanna Melonek19, Pierre Hucl1, Andrew G. Sharpe1, Matthew D. Clark11, Erik Legg20, Arvind K. Bharti20, Peter Langridge21, Anthony Hall6, Cristobal Uauy6, Martin Mascher4, Simon G. Krattinger7, Simon G. Krattinger22, Hirokazu Handa23, Kentaro Shimizu10, Kentaro Shimizu7, Assaf Distelfeld24, Kenneth J. Chalmers21, Beat Keller7, Klaus F. X. Mayer25, Jesse Poland3, Nils Stein26, Nils Stein4, Curt A. McCartney8, Manuel Spannagl, Thomas Wicker7, Curtis J. Pozniak1 
25 Nov 2020-Nature
TL;DR: Comparative analysis of multiple genome assemblies from wheat reveals extensive diversity that results from the complex breeding history of wheat and provides a basis for further potential improvements to this important food crop.
Abstract: Advances in genomics have expedited the improvement of several agriculturally important crops but similar efforts in wheat (Triticum spp.) have been more challenging. This is largely owing to the size and complexity of the wheat genome1, and the lack of genome-assembly data for multiple wheat lines2,3. Here we generated ten chromosome pseudomolecule and five scaffold assemblies of hexaploid wheat to explore the genomic diversity among wheat lines from global breeding programs. Comparative analysis revealed extensive structural rearrangements, introgressions from wild relatives and differences in gene content resulting from complex breeding histories aimed at improving adaptation to diverse environments, grain yield and quality, and resistance to stresses4,5. We provide examples outlining the utility of these genomes, including a detailed multi-genome-derived nucleotide-binding leucine-rich repeat protein repertoire involved in disease resistance and the characterization of Sm16, a gene associated with insect resistance. These genome assemblies will provide a basis for functional gene discovery and breeding to deliver the next generation of modern wheat cultivars.

Journal ArticleDOI
25 Mar 2020
TL;DR: COVID-19 may drive sustained research in robotics to address risks of infectious diseases and provide a roadmap for sustained research into self-driving cars.
Abstract: COVID-19 may drive sustained research in robotics to address risks of infectious diseases. COVID-19 may drive sustained research in robotics to address risks of infectious diseases.

Journal ArticleDOI
TL;DR: This research presents a meta-modelling framework that automates the very labor-intensive and therefore time-heavy and expensive process of manually cataloging and cataloging individual neurons to provide real-time information about their levels of activity.
Abstract: Recent successes in the field of machine learning, as well as the availability of increased sensing and computational capabilities in modern control systems, have led to a growing interest in learn...

Journal ArticleDOI
TL;DR: In this paper, the authors investigated the global trends of GHG emissions arising across the life cycle of buildings by systematically compiling and analysing more than 650 life cycle assessment (LCA) case studies.