Since its first confirmed case at the end of 2019, COVID-19 has become a global pandemic in three months with more than 1.4 million confirmed cases worldwide, as of early April 2020. Quantifying the changes of pollutant emissions due to COVID-19 and associated governmental control measures is crucial to understand its impacts on economy, air pollution, and society. We used the WRF-GC model and the tropospheric NO₂ column observations retrieved by the TROPOMI instrument to derive the top-down NOx emission change estimation between the three periods: P1 (January 1st to January 22nd, 2020), P2 (January 23rd, Wuhan lockdown, to February 9th, 2020), and P3 (February 10th, back-to-work day, to March 12th, 2020). We found that NOx emissions in East China averaged during P2 decreased by 50% compared to those averaged during P1. The NOx emissions averaged during P3 increased by 26% compared to those during P2. Most provinces in East China gradually regained some of their NOx emissions after February 10, the official back-to-work day, but NOx emissions in most provinces have not yet to return to their previous levels in early January. NOx emissions in Wuhan, the first epicenter of COVID-19, had no sign of emission recovering by March 12. A few provinces, such as Zhejiang and Shanxi, have recovered fast, with their averaged NOx emissions during P3 almost back to pre-lockdown levels.

Emissions are a central component of atmospheric chemistry models. The Harmonized Emissions Component (HEMCO) is a software component for computing emissions from a user-selected ensemble of emission inventories and algorithms. It allows users to re-grid, combine, overwrite, subset, and scale emissions from different inventories through a configuration file and with no change to the model source code. The configuration file also maps emissions to model species with appropriate units. HEMCO can operate in offline stand-alone mode, but more importantly it provides an online facility for models to compute emissions at runtime. HEMCO complies with the Earth System Modeling Framework (ESMF) for portability across models. We present a new version here, HEMCO 3.0, that features an improved three-layer architecture to facilitate implementation into any atmospheric model and improved capability for calculating emissions at any model resolution including multiscale and unstructured grids. The three-layer architecture of HEMCO 3.0 includes (1) the Data Input Layer that reads the configuration file and accesses the HEMCO library of emission inventories and other environmental data, (2) the HEMCO Core that computes emissions on the user-selected HEMCO grid, and (3) the Model Interface Layer that re-grids (if needed) and serves the data to the atmospheric model and also serves model data to the HEMCO Core for computing emissions dependent on model state (such as from dust or vegetation). The HEMCO Core is common to the implementation in all models, while the Data Input Layer and the Model Interface Layer are adaptable to the model environment. Default versions of the Data Input Layer and Model Interface Layer enable straightforward implementation of HEMCO in any simple model architecture, and options are available to disable features such as re-gridding that may be done by independent couplers in more complex architectures. The HEMCO library of emission inventories and algorithms is continuously enriched through user contributions so that new inventories can be immediately shared across models. HEMCO can also serve as a general data broker for models to process input data not only for emissions but for any gridded environmental datasets. We describe existing implementations of HEMCO 3.0 in (1) the GEOS-Chem “Classic” chemical transport model with shared-memory infrastructure, (2) the high-performance GEOS-Chem (GCHP) model with distributed-memory architecture, (3) the NASA GEOS Earth System Model (GEOS ESM), (4) the Weather Research and Forecasting model with GEOS-Chem (WRF-GC), (5) the Community Earth System Model Version 2 (CESM2), and (6) the NOAA Global Ensemble Forecast System – Aerosols (GEFS-Aerosols), as well as the planned implementation in the NOAA Unified Forecast System (UFS). Implementation of HEMCO in CESM2 contributes to the Multi-Scale Infrastructure for Chemistry and Aerosols (MUSICA) by providing a common emissions infrastructure to support different simulations of atmospheric chemistry across scales.

Nitrogen oxides (NO_x≡ NO + NO₂) are of central importance for air quality, climate forcing, and nitrogen deposition to ecosystems. The Geostationary Environment Monitoring Spectrometer (GEMS) is now providing hourly NO₂ satellite observations over East Asia, offering the first direct measurements of NO₂ diurnal variation from space to guide understanding of NO_x emissions and chemistry. The NO₂ retrieval requires independent vertical profile information from a chemical transport model (CTM) to compute the air mass factor (AMF) that relates the NO₂ column measured along the line of sight to the NO₂ vertical column. Here, we use aircraft observations from the Korea-United States Air Quality (KORUS-AQ) campaign over the Seoul metropolitan area (SMA) and around the Korean Peninsula in May–June 2016 to better understand the factors controlling the NO₂ vertical profile, its diurnal variation, the implications for the AMFs, and the ability of the GEOS-Chem CTM to compute the NO₂ vertical profiles used for AMFs. Proper representation of oxidant chemistry is critical for the CTM simulation of NO₂ vertical profiles and is achieved in GEOS-Chem through new model developments, including aerosol nitrate photolysis, reduced uptake of hydroperoxy (HO₂) radicals by aerosols, and accounting for atmospheric oxidation of volatile chemical products (VCPs). We find that the tropospheric NO₂ columns measured from space in the SMA are mainly contributed by the planetary boundary layer (PBL) below 2 km altitude, reflecting the highly polluted conditions. Repeated measurements of NO₂ vertical profiles over the SMA at different times of day show that diurnal change in mixing depth affecting the NO₂ vertical profile induces a diurnal variation in AMFs of comparable magnitude to the diurnal variation in the NO₂ column. GEOS-Chem captures this diurnal variation in AMFs and more generally the variability in the AMFs for the KORUS-AQ NO₂ vertical profiles (2.7 % mean bias, 7.6 % precision), with some outliers in the morning due to errors in the timing of mixed-layer growth.

A major computational barrier in global modeling of atmospheric chemistry is the numerical integration of the coupled kinetic equations describing the chemical mechanism. Machine‐learned (ML) solvers can offer order of magnitude speedup relative to conventional implicit solvers but past implementations have suffered from fast error growth and only run for short simulation times (<1 month). A successful ML solver for global models must avoid error growth over yearlong simulations and allow for reinitialization of the chemical trajectory by transport at every time step. Here, we explore the capability of a neural network solver equipped with an autoencoder to achieve stable full‐year simulations of tropospheric oxidant chemistry in the global 3‐D Goddard Earth Observing System (GEOS)‐Chem model, replacing its standard mechanism (228 species) by the Super‐Fast mechanism (12 species) to avoid the curse of dimensionality. We find that online training of the ML solver within GEOS‐Chem is important for accuracy, whereas offline training from archived GEOS‐Chem inputs/outputs produces large errors. After online training, we achieve stable 1‐year simulations with five‐fold speedup compared to the standard implicit Rosenbrock solver with global tropospheric normalized mean biases of −0.3% for ozone, 1% for hydrogen oxide radicals, and −5% for nitrogen oxides. The ML solver captures the diurnal and synoptic variability of surface ozone at polluted and clean sites. There are however large regional biases for ozone and NO_x under remote conditions where chemical aging leads to error accumulation. These regional biases remain a major limitation for practical application, and ML emulation would be more difficult in a more complex mechanism.

We developed the WRF-GC model, an online coupling of the Weather Research and Forecasting (WRF) mesoscale meteorological model and the GEOS-Chem atmospheric chemistry model, for regional atmospheric chemistry and air quality modeling. WRF and GEOS-Chem are both open-source community models. WRF-GC offers regional modellers access to the latest GEOS-Chem chemical module, which is state of the science, well documented, traceable, benchmarked, actively developed by a large international user base, and centrally managed by a dedicated support team. At the same time, WRF-GC enables GEOS-Chem users to perform high-resolution forecasts and hindcasts for any region and time of interest. WRF-GC uses unmodified copies of WRF and GEOS-Chem from their respective sources; the coupling structure allows future versions of either one of the two parent models to be integrated into WRF-GC with relative ease. Within WRF-GC, the physical and chemical state variables are managed in distributed memory and translated between WRF and GEOS-Chem by the WRF-GC coupler at runtime. We used the WRF-GC model to simulate surface PM_2.5 concentrations over China during 22 to 27 January 2015 and compared the results to surface observations and the outcomes from a GEOS-Chem Classic nested-China simulation. Both models were able to reproduce the observed spatiotemporal variations of regional PM_2.5, but the WRF-GC model (r=0.68, bias =29 %) reproduced the observed daily PM_2.5 concentrations over eastern China better than the GEOS-Chem Classic model did (r=0.72, bias =55 %). This was because the WRF-GC simulation, nudged with surface and upper-level meteorological observations, was able to better represent the pollution meteorology during the study period. The WRF-GC model is parallelized across computational cores and scales well on massively parallel architectures. In our tests where the two models were similarly configured, the WRF-GC simulation was 3 times more efficient than the GEOS-Chem Classic nested-grid simulation due to the efficient transport algorithm and the Message Passing Interface (MPI)-based parallelization provided by the WRF software framework. WRF-GC v1.0 supports one-way coupling only, using WRF-simulated meteorological fields to drive GEOS-Chem with no chemical feedbacks. The development of two-way coupling capabilities, i.e., the ability to simulate radiative and microphysical feedbacks of chemistry to meteorology, is under way. The WRF-GC model is open source and freely available from http://wrf.geos-chem.org (last access: 10 July 2020).

We present the WRF-GC model v2.0, an online two-way coupling of the Weather Research and Forecasting (WRF) meteorological model (v3.9.1.1) and the GEOS-Chem model (v12.7.2). WRF-GC v2.0 is built on the modular framework of WRF-GC v1.0 and further includes aerosol–radiation interaction (ARI) and aerosol–cloud interaction (ACI) based on bulk aerosol mass and composition, as well as the capability to nest multiple domains for high-resolution simulations. WRF-GC v2.0 is the first implementation of the GEOS-Chem model in an open-source dynamic model with chemical feedbacks to meteorology. In WRF-GC, meteorological and chemical calculations are performed on the exact same 3-D grid system; grid-scale advection of meteorological variables and chemical species uses the same transport scheme and time steps to ensure mass conservation. Prescribed size distributions are applied to the aerosol types simulated by GEOS-Chem to diagnose aerosol optical properties and activated cloud droplet numbers; the results are passed to the WRF model for radiative and cloud microphysics calculations. WRF-GC is computationally efficient and scalable to massively parallel architectures. We use WRF-GC v2.0 to conduct sensitivity simulations with different combinations of ARI and ACI over China during January 2015 and July 2016. Our sensitivity simulations show that including ARI and ACI improves the model's performance in simulating regional meteorology and air quality. WRF-GC generally reproduces the magnitudes and spatial variability of observed aerosol and cloud properties and surface meteorological variables over East Asia during January 2015 and July 2016, although WRF-GC consistently shows a low bias against observed aerosol optical depths over China. WRF-GC simulations including both ARI and ACI reproduce the observed surface concentrations of PM_2.5 in January 2015 (normalized mean bias of −9.3 %, spatial correlation r of 0.77) and afternoon ozone in July 2016 (normalized mean bias of 25.6 %, spatial correlation r of 0.56) over eastern China. WRF-GC v2.0 is open source and freely available from http://wrf.geos-chem.org (last access: 20 June 2021).