#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.
Abigail DommerLorenzo CasalinoFiona KearnsMia A RosenfeldNicholas WauerSurl-Hee AhnJohn D RussoAna Sofia F OliveiraClare MorrisAnthony BogettiAnda TrifanAlexander BraceTerra SztainAustin ClydeHeng MaChakra ChennubhotlaHyungro LeeMatteo TurilliSyma KhalidTeresa Tamayo-MendozaMatthew WelbornAnders ChristensenDaniel Ga SmithZhuoran QiaoSai K SirumallaMichael O'ConnorFrederick ManbyAnima AnandkumarDavid HardyJames C PhillipsAbraham SternJosh RomeroDavid ClarkMitchell DorrellTom MaidenLei HuangJohn McCalpinChristopher WoodsAlan GrayMatt WilliamsBryan BarkerHarinda RajapakshaRichard PittsTom GibbsJohn StoneDaniel M ZuckermanAdrian J MulhollandThomas MillerShantenu JhaArvind RamanathanLillian T ChongRommie Elizabeth AmaroPublished in: The international journal of high performance computing applications (2022)
We seek to completely revise current models of airborne transmission of respiratory viruses by providing never-before-seen atomic-level views of the SARS-CoV-2 virus within a respiratory aerosol. Our work dramatically extends the capabilities of multiscale computational microscopy to address the significant gaps that exist in current experimental methods, which are limited in their ability to interrogate aerosols at the atomic/molecular level and thus obscure our understanding of airborne transmission. We demonstrate how our integrated data-driven platform provides a new way of exploring the composition, structure, and dynamics of aerosols and aerosolized viruses, while driving simulation method development along several important axes. We present a series of initial scientific discoveries for the SARS-CoV-2 Delta variant, noting that the full scientific impact of this work has yet to be realized.