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Reviews the development of a multimode space weather system. The system assimilates a range of ionospheric, electrodynamic and thermospheric data models.
We propose a framework to learn the time-dependent Hartree–Fock (TDHF) inter-electronic potential of a molecule from its electron density dynamics. Although the entire TDHF Hamiltonian, including the inter-electronic potential, can be computed from first principles, we use this problem as a testbed to develop strategies that can be applied to learn a priori unknown terms that arise in other methods/approaches to quantum dynamics, e.g., emerging problems such as learning exchange–correlation potentials for time-dependent density functional theory. We develop, train, and test three models of the TDHF inter-electronic potential, each parameterized by a four-index tensor of size up to 60 × 60 × 60 × 60. Two of the models preserve Hermitian symmetry, while one model preserves an eight-fold permutation symmetry that implies Hermitian symmetry. Across seven different molecular systems, we find that accounting for the deeper eight-fold symmetry leads to the best-performing model across three metrics: training efficiency, test set predictive power, and direct comparison of true and learned inter-electronic potentials. All three models, when trained on ensembles of field-free trajectories, generate accurate electron dynamics predictions even in a field-on regime that lies outside the training set. To enable our models to scale to large molecular systems, we derive expressions for Jacobian-vector products that enable iterative, matrix-free training.
To build continuously improving space weather predictive capabilities based on science and enable assessments and rapid implementations of advances in research into source-to-impact modelling systems we need: to assemble parts of the puzzle by solving problems focused on specific physical domains; to identify essential space environment quantities (ESEQs) passed between domains and linked to impacts; evaluate modeling capabilities for each ESEQ; connect all validated solutions from space weather origins on the sun to impacts on humans and critical infrastructure; to design displays for ensemble predictions tailored for major space weather user groups; to build a collaborative environment for efficient sharing of information and capabilities (models/data/expertise) and collaborative development. The presentation will overview existing community-wide space weather forecasting frameworks and research-to-operations pipelines and discuss opportunities to build a collaborative plug-and-play platform for interconnecting predictive capabilities developed under different space weather programs.
To build continuously improving space weather predictive capabilities based on science and enable assessments and rapid implementations of advances in research into source-to-impact modelling systems we need: to assemble parts of the puzzle by solving problems focused on specific physical domains; to identify essential space environment quantities (ESEQs) passed between domains and linked to impacts; evaluate modeling capabilities for each ESEQ; connect all validated solutions from space weather origins on the sun to impacts on humans and critical infrastructure; to design displays for ensemble predictions tailored for major space weather user groups; to build a collaborative environment for efficient sharing of information and capabilities (models/data/expertise) and collaborative development. The presentation will overview existing community-wide space weather forecasting frameworks and research-to-operations pipelines and discuss opportunities to build a collaborative plug-and-play platform for interconnecting predictive capabilities developed under different space weather programs.
Rainfall is a key link in the hydrologic cycle as well as the primary heat source for the atmosphere. The vertical distribution of convective latent-heat release modulates the large-scale circulations of the topics. Furthermore, changes in the moisture distribution at middle and upper levels of the troposphere can affect cloud distributions and cloud liquid water and ice contents. How the incoming solar and outgoing longwave radiation respond to these changes in clouds is a major factor in assessing climate change. Present large-scale weather and climate model simulate processes only crudely, reducing confidence in their predictions on both global and regional scales. One of the most promising methods to test physical parameterizations used in General Circulation Models (GCMs) and climate models is to use field observations together with Cloud Resolving Models (CRMs). The CRMs use more sophisticated and physically realistic parameterizations of cloud microphysical processes, and allow for their complex interactions with solar and infrared radiative transfer processes. The CRMs can reasonably well resolve the evolution, structure, and life cycles of individual clouds and clouds systems. The major objective of this paper is to investigate the latent heating, moisture and momentum budgets associated with several convective systems developed during the TOGA COARE IFA - westerly wind burst event (late December, 1992). The tool for this study is the Goddard Cumulus Ensemble (GCE) model which includes a 3-class ice-phase microphysics scheme.
The Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2) is an atmospheric reanalysis computed with the Goddard Earth Observing (EOS) System, Version 5.12.4 (GEOS) data assimilation system (Gelaro et al., 2017). To supplement the reanalysis, the GEOS General Circulation Model (GCM) used in MERRA-2 has been used to generate a 10-member ensemble of simulations, configured following the convention of the Atmospheric Model Intercomparison Project (AMIP; Gates et al., 1992). Each ensemble member was initialized using meteorological fields from a different date in November 1979. The AMIP simulations used the sea-surface temperature (SST) and sea-ice boundary conditions that were used in MERRA-2 (Bosilovich et al., 2016). This 10-member ensemble of AMIP simulations, denoted M2AMIP, is available for download in a group of self-describing files, which are documented in this office note. All data collections are provided on the same horizontal grid as MERRA-2. This grid has 576 points in the longitudinal direction and 361 points in the latitudinal direction, corresponding to a resolution of 0.625 degrees by 0.5 degrees. Although data collections are available at this grid, all fields are computed on a cubed-sphere grid with an approximate resolution of 50 km by 50 km and are then spatially interpolated to the latitude-longitude grid. There are no changes in the vertical grids used: variables are provided on either the native vertical grid of 72 model layers, or interpolated to 42 standard pressure levels. Unlike MERRA, no data collections are available at the vertical layer edges. More details on the grid are provided in Section 4. MERRA-2 introduced observation-based precipitation forcing for the land surface parameterization and the corresponding variable PRECTOTCORR in the MERRA-2 FLX (surface turbulent fluxes and related quantities) and LFO (land-surface forcing) collections (see Section 6; Reichle et al., 2017). While this variable is still available for M2AMIP, there was no observation-based forcing, making the value identical to the model derived precipitation, PRECTOT. Similarly, without data assimilation, the values for the analysis increments, D*DTANA, in the tendency and vertically integrated file collections are zero. The M2AMIP data are available for download online through the NASA Center for Climate Simulation (NCCS) DataPortal (https://portal.nccs.nasa.gov/datashare/gmao_m2amip/). Data are arranged in subdirectories based on ensemble member, followed by year and month. Control files that are compatible with the Grid Analysis and Display System (GrADS) are available in the ctl_daily and ctl_monthly directories for the hourly, three hourly, and monthly mean data. Control files for the monthly mean diurnal cycle can be found in the ctl_diurnal subdirectory within the directory for each individual ensemble member.
Cryoelectron microscopy requires molecular modeling for refinement of structures. Ensemble models arrive at low free-energy molecular structures, but are computationally expensive and limited to resolving only small proteins. Here, we introduce CryoFold, a pipeline of molecular dynamics simulations that determines ensembles of protein structures by integrating density data of varying sparsity at 3–5 Å resolution with sequence information and coarse-grained topological knowledge of the protein folds. We present six examples, folding proteins between 72 and 2,000 residues, including large membrane and multi-domain systems, and results from two Electron Microscopy Data Bank (EMDB) competitions. Driven by data from a single state, CryoFold discovers ensembles of common low-energy models together with rare low-probability structures that capture the equilibrium distribution of proteins constrained by the density maps. Many of these conformations are experimentally validated and functionally relevant. We arrive at a set of best practices for data-guided protein folding that are controlled using a Python graphical user interface (GUI).
The discovery of ferroelectricity in HfO 2 -based thin films opens up new opportunities for using this silicon-compatible ferroelectric to realize low-power logic circuits and high-density nonvolatile memories. The functional performances of ferroelectrics are intimately related to their dynamic responses to external stimuli such as electric fields at finite temperatures. Molecular dynamics is an ideal technique for investigating dynamical processes on large length and time scales, though its applications to new materials are often hindered by the limited availability and accuracy of classical force fields. Here we present a deep neural network–based interatomic force field of HfO 2 learned from ab initio data using a concurrent learning procedure. The model potential is able to predict structural properties such as elastic constants, equation of states, phonon dispersion relationships, and phase transition barriers of various hafnia polymorphs with accuracy comparable with density functional theory calculations. Here, the validity of this model potential is further confirmed by the reproduction of experimental sequences of temperature-driven ferroelectric-paraelectric phase transitions of HfO 2 with isobaric-isothermal ensemble molecular dynamics simulations. We suggest a general approach to extend the model potential of HfO 2 to related material systems including dopants and defects.
Over the last year, the Global Modeling and Assimilation Office (GMAO) has continued to advance our GEOS-5-based systems, updating products for both weather and climate applications. We contributed hindcasts and forecasts to the National Multi-Model Ensemble (NMME) of seasonal forecasts and the suite of decadal predictions to the Coupled Model Intercomparison Project (CMIP5).
Abstract. The Scenario Model Intercomparison Project (ScenarioMIP) defines and coordinates the main set of future climate projections, based on concentration-driven simulations, within the Coupled Model Intercomparison Project phase 6 (CMIP6). This paper presents a range of its outcomes by synthesizing results from the participating global coupled Earth system models. We limit our scope to the analysis of strictly geophysical outcomes: mainly global averages and spatial patterns of change for surface air temperature and precipitation. We also compare CMIP6 projections to CMIP5 results, especially for those scenarios that were designed to provide continuity across the CMIP phases, at the same time highlighting important differences in forcing composition, as well as in results. The range of future temperature and precipitation changes by the end of the century (2081–2100) encompassing the Tier 1 experiments based on the Shared Socioeconomic Pathway (SSP) scenarios (SSP1-2.6, SSP2-4.5, SSP3-7.0 and SSP5-8.5) and SSP1-1.9 spans a larger range of outcomes compared to CMIP5, due to higher warming (by close to 1.5 ∘C) reached at the upper end of the 5 %–95 % envelope of the highest scenario (SSP5-8.5). This is due to both the wider range of radiative forcing that the new scenarios cover and the higher climate sensitivities in some of the new models compared to their CMIP5 predecessors. Spatial patterns of change for temperature and precipitation averaged over models and scenarios have familiar features, and an analysis of their variations confirms model structural differences to be the dominant source of uncertainty. Models also differ with respect to the size and evolution of internal variability as measured by individual models' initial condition ensemble spreads, according to a set of initial condition ensemble simulations available under SSP3-7.0. These experiments suggest a tendency for internal variability to decrease along the course of the century in this scenario, a result that will benefit from further analysis over a larger set of models. Benefits of mitigation, all else being equal in terms of societal drivers, appear clearly when comparing scenarios developed under the same SSP but to which different degrees of mitigation have been applied. It is also found that a mild overshoot in temperature of a few decades around mid-century, as represented in SSP5-3.4OS, does not affect the end outcome of temperature and precipitation changes by 2100, which return to the same levels as those reached by the gradually increasing SSP4-3.4 (not erasing the possibility, however, that other aspects of the system may not be as easily reversible). Central estimates of the time at which the ensemble means of the different scenarios reach a given warming level might be biased by the inclusion of models that have shown faster warming in the historical period than the observed. Those estimates show all scenarios reaching 1.5 ∘C of warming compared to the 1850–1900 baseline in the second half of the current decade, with the time span between slow and fast warming covering between 20 and 27 years from present. The warming level of 2 ∘C of warming is reached as early as 2039 by the ensemble mean under SSP5-8.5 but as late as the mid-2060s under SSP1-2.6. The highest warming level considered (5 ∘C) is reached by the ensemble mean only under SSP5-8.5 and not until the mid-2090s.
Mesoscale research and forecast models are increasingly being used at horizontal resolutions of 1-8 km to simulate a variety of precipitating systems. When the model is used to simulate convective systems, it is uncertain to what extent the dynamics and microphysics of convective updrafts can be resolved with grids larger than 1 km. In this study, two- and three-dimensional versions of the Goddard Cumulus Ensemble model are used to determine the impact of horizontal grid resolution on the behavior of the simulated storms and on the characteristics of the cloud microphysical fields. It will be shown that as resolution decreases from about 1 km to greater than 3 km, there is a fairly rapid degradation of the storm structure in the form of reduced convective mass fluxes, updraft tilts, and cloud microphysics. A high-resolution simulation of hurricane outer rainbands using the MM5 mesoscale model shows also that there can be a substantial modification of the key microphysical processes that contribute to rainfall as a result of reducing the horizontal resolution.
An adequate characterization of internal modes of climate variability (MoV) is a prerequisite for both accurate seasonal predictions and climate change detection and attribution. Assessing the fidelity of climate models in simulating MoV is therefore essential; however, doing so is complicated by the large intrinsic variations in MoV and the limited span of the observational record. Large ensembles (LEs) provide a unique opportunity to assess model fidelity in simulating MoV and quantify intermodel contrasts. Here, in this work, these goals are pursued in four recently produced LEs: the Energy Exascale Earth System Model (E3SM) versions 1 and 2 LEs, and the Community Earth System Model (CESM) versions 1 and 2 LEs. In general, the representation of global coupled modes is found to improve across successive E3SM and CESM versions in conjunction with the fidelity of the base state climate while the patterns of extratropical modes are well simulated across the ensembles. Various persistent shortcomings for all MoV are however identified and discussed. The results both demonstrate the successes of these recent model versions and suggest the potential for continued improvement in the representation of MoV with advances in model physics.
The statistics of breaking wave fields are characterised within a novel multi-layer framework, which generalises the single-layer Saint-Venant system into a multi-layer and non-hydrostatic formulation of the Navier–Stokes equations. We simulate an ensemble of phase-resolved surface wave fields in physical space, where strong nonlinearities, including directional wave breaking and the subsequent highly rotational flow motion, are modelled, without surface overturning. We extract the kinematics of wave breaking by identifying breaking fronts and their speed, for freely evolving wave fields initialised with typical wind wave spectra. The Λ(c) distribution, defined as the length of breaking fronts (per unit area) moving with speed c to c + dc following Phillips (J. Fluid Mech., vol. 156, 1985, pp. 505–531), is reported for a broad range of conditions. We recover the Λ(c) ∝ c−6 scaling without wind forcing for sufficiently steep wave fields. A scaling of Λ(c) based solely on the root-mean-square slope and peak wave phase speed is shown to describe the modelled breaking distributions well. The modelled breaking distributions are in good agreement with field measurements and the proposed scaling can be applied successfully to the observational data sets. The present work paves the way for simulations of the turbulent upper ocean directly coupled to a realistic breaking wave dynamics, including Langmuir turbulence, and other sub-mesoscale processes.
Monsoon low pressure systems (LPSs) are the dominant rain-bearing weather system of South Asia, often producing extreme precipitation and hydrological disasters in a region inhabited by nearly two billion people. Despite the importance of these storms, no operational system has automatically identified and tracked LPS in real time in numerical weather prediction model output; many commonly used vortex-tracking algorithms are ill suited for monsoon LPS because of the weak winds and cold cores of these systems. Here, we describe a new system that uses optimized algorithms to identify monsoon LPS in short- to medium-range forecasts from the U.S. Global Ensemble Forecast System (GEFS) and a version of the deterministic Global Forecast System (GFS) adapted and used operationally by the Indian Institute of Tropical Meteorology (IITM). We also assess the historical performance of these models in forecasting South Asian monsoon LPS, comparing this with the performance of the Integrated Forecasting System of the ECMWF. We assess the accuracy of model predictions of LPS genesis, position, intensity, and precipitation rates for forecast lead times of 1–5 days, yielding quantitative information on model biases to guide operational forecasters and disaster managers. The system we introduce here could be extended to other low-latitude regions affected by dynamically weak, heavily precipitating atmospheric vortices that are often not included in tropical cyclone inventories.
The response of precipitation extremes (PEs) to global warming is found to be nonlinear in Community Earth System Model version 1 (CESM1) and other global climate models (Pendergrass et al., 2019), which led to the concern that it is not accurate to approximate the response of PE to a single forcing as the difference between simulations with all forcing agents and those that exclude one specific forcing. This calls into question previous model-based results that the sensitivity of PE with warming due to aerosol forcing is significantly larger than that due to greenhouse gases (GHGs). We reevaluate the PE sensitivity to GHGs and aerosols using available CESM1 ensemble simulations. We show that although the PE response to warming is nonlinear in CESM1, especially for the high warming projected in the twenty-first-century, PE sensitivity to aerosols is still significantly stronger than that due to GHGs when the comparison is made within similar warming regimes to avoid the bias induced by the nonlinear behavior. But the difference is smaller than previously estimated. We also conclude that the additivity assumption is largely valid to isolate the PE response due to aerosol forcing from the paired simulations including the “all forcing” experiment when the warming regime is small (e.g., 1°C–2°C in the next few decades when aerosol forcing is projected to decline and becomes a major source of uncertainty for model projection).
Upper ocean heat content (HC) is one of the key indicators of climate variability on many time-scales extending from seasonal to interannual to long-term climate trends. For example, HC in the tropical Pacific provides information on thermocline anomalies that is critical for the longlead forecast skill of ENSO. Since HC variability is also associated with SST variability, a better understanding and monitoring of HC variability can help us understand and forecast SST variability associated with ENSO and other modes such as Indian Ocean Dipole (IOD), Pacific Decadal Oscillation (PDO), Tropical Atlantic Variability (TAV) and Atlantic Multidecadal Oscillation (AMO). An accurate ocean initialization of HC anomalies in coupled climate models could also contribute to skill in decadal climate prediction. Errors, and/or uncertainties, in the estimation of HC variability can be affected by many factors including uncertainties in surface forcings, ocean model biases, and deficiencies in data assimilation schemes. Changes in observing systems can also leave an imprint on the estimated variability. The availability of multiple operational ocean analyses (ORA) that are routinely produced by operational and research centers around the world provides an opportunity to assess uncertainties in HC analyses, to help identify gaps in observing systems as they impact the quality of ORAs and therefore climate model forecasts. A comparison of ORAs also gives an opportunity to identify deficiencies in data assimilation schemes, and can be used as a basis for development of real-time multi-model ensemble HC monitoring products. The OceanObs09 Conference called for an intercomparison of ORAs and use of ORAs for global ocean monitoring. As a follow up, we intercompared HC variations from ten ORAs -- two objective analyses based on in-situ data only and eight model analyses based on ocean data assimilation systems. The mean, annual cycle, interannual variability and longterm trend of HC have been analyzed
Abstract Electricity and water systems in the Western US (WUS) are closely connected, with hydropower comprising 20% of total annual WUS generation, and electricity related to water comprising about 7% of total WUS electricity use. Because of these interdependencies, the threat of climate change to WUS resources will likely have compounding electricity impacts on the Western Interconnect grid. This study describes a WUS‐wide water system model with a particular emphasis on estimating climate impacts on hydropower generation and water‐related electricity use, which can be linked with a grid expansion model to support climate‐resilient electricity planning. The water system model combines climatically‐driven physical hydrology and management of both water supply and demand allocation, and is applied to an ensemble of 15 climate scenarios out to 2050. Model results show decreasing streamflow in key basins of the WUS under most scenarios. Annual water‐related electricity use increases up to 4%, and by up to 6% during the summer months, driven by growing agricultural demands met increasingly through a shift toward energy‐intensive groundwater to replace declining surface water. Total annual hydropower generation changes by +5% to −20% by mid‐century but declines in most scenarios, with decreases in summer generation by up to nearly −30%. Water‐related electricity use increases tend to coincide with hydropower generation declines, annually and seasonally, demonstrating the importance of concurrently evaluating the climate signal on both water‐for‐energy and energy‐for‐water to inform planning for grid reliability and decarbonization goals.
Abstract High-fidelity analyses and forecasts of integrated vapor transport (VT) are central to the study of Earth’s hydrological cycle as well as high-impact phenomena such as monsoons and atmospheric rivers. The impact of the in-line analysis correction-based additive inflation (ACAI) on IVT biases and forecast errors is examined within the Navy Earth System Prediction Capability (Navy ESPC) global coupled system. The ACAI technique uses atmospheric analysis corrections from the data assimilation system to approximate model bias and as a representation of stochastic model error to simultaneously reduce systematic and random errors and improve ensemble performance. ACAI reduces the global average magnitude of the 7- and 14-day IVT bias by 16%–17% during Northern Hemisphere summer, reaching 70% reductions in some tropical regions. The global average IVT bias reduction is similar to the bias reduction for low-level wind speed bias and considerably smaller than the bias reduction in total precipitable water. The localized regions where ACAI increases IVT bias occur where the control IVT biases change sign and structure with increasing forecast lead time, such as the South Asian monsoon region. Substituting analyzed wind or moisture fields for the forecast fields when calculating the forecast IVT confirms that, on average, wind errors dominate the IVT error calculation in the tropics, although wind and moisture error contributions are comparable in the extratropics. The existence of regions where using either analyzed winds or analyzed moisture increases IVT bias or mean absolute error reveals areas with compensating errors.