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#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.
Dommer, Abigail; Casalino, Lorenzo; Kearns, Fiona; Rosenfeld, Mia; Wauer, Nicholas; Ahn, Surl-Hee; Russo, John; Oliveira, Sofia; Morris, Clare; Bogetti, Anthony; Trifan, Anda; Brace, Alexander; Sztain, Terra; Clyde, Austin; Ma, Heng; Chennubhotla, Chakra; Lee, Hyungro; Turilli, Matteo; Khalid, Syma; Tamayo-Mendoza, Teresa; Welborn, Matthew; Christensen, Anders; Smith, Daniel Ga; Qiao, Zhuoran; Sirumalla, Sai K; O'Connor, Michael; Manby, Frederick; Anandkumar, Anima; Hardy, David; Phillips, James; Stern, Abraham; Romero, Josh; Clark, David; Dorrell, Mitchell; Maiden, Tom; Huang, Lei; McCalpin, John; Woods, Christopher; Gray, Alan; Williams, Matt; Barker, Bryan; Rajapaksha, Harinda; Pitts, Richard; Gibbs, Tom; Stone, John; Zuckerman, Daniel M; Mulholland, Adrian J; Miller, Thomas; Jha, Shantenu; Ramanathan, Arvind.
  • Dommer A; UC San Diego, La Jolla, CA, USA.
  • Casalino L; UC San Diego, La Jolla, CA, USA.
  • Kearns F; UC San Diego, La Jolla, CA, USA.
  • Rosenfeld M; UC San Diego, La Jolla, CA, USA.
  • Wauer N; UC San Diego, La Jolla, CA, USA.
  • Ahn SH; UC San Diego, La Jolla, CA, USA.
  • Russo J; Oregon Health & Science University, Portland, OR, USA.
  • Oliveira S; University of Bristol, UK.
  • Morris C; UC San Diego, La Jolla, CA, USA.
  • Bogetti A; University of Pittsburgh, Pittsburgh, PA, USA.
  • Trifan A; Argonne National Laboratory, Lemont, IL, USA.
  • Brace A; University of Illinois at Urbana-Champaign, Urbana, IL, USA.
  • Sztain T; Argonne National Laboratory, Lemont, IL, USA.
  • Clyde A; University of Chicago, Chicago, IL, USA.
  • Ma H; UC San Diego, La Jolla, CA, USA.
  • Chennubhotla C; Freie Universitat Berlin.
  • Lee H; Argonne National Laboratory, Lemont, IL, USA.
  • Turilli M; University of Chicago, Chicago, IL, USA.
  • Khalid S; Argonne National Laboratory, Lemont, IL, USA.
  • Tamayo-Mendoza T; University of Pittsburgh, Pittsburgh, PA, USA.
  • Welborn M; Brookhaven National Lab and Rutgers University.
  • Christensen A; Brookhaven National Lab and Rutgers University.
  • Smith DG; University of Oxford, UK.
  • Qiao Z; Entos, Inc., San Diego, CA, USA.
  • Sirumalla SK; Entos, Inc., San Diego, CA, USA.
  • O'Connor M; Entos, Inc., San Diego, CA, USA.
  • Manby F; Entos, Inc., San Diego, CA, USA.
  • Anandkumar A; California Institute of Technology, Pasadena, CA, USA.
  • Hardy D; Entos, Inc., San Diego, CA, USA.
  • Phillips J; Entos, Inc., San Diego, CA, USA.
  • Stern A; Entos, Inc., San Diego, CA, USA.
  • Romero J; California Institute of Technology, Pasadena, CA, USA.
  • Clark D; NVIDIA Corp, Santa Clara, CA, USA.
  • Dorrell M; University of Illinois at Urbana-Champaign, Urbana, IL, USA.
  • Maiden T; University of Illinois at Urbana-Champaign, Urbana, IL, USA.
  • Huang L; NVIDIA Corp, Santa Clara, CA, USA.
  • McCalpin J; NVIDIA Corp, Santa Clara, CA, USA.
  • Woods C; NVIDIA Corp, Santa Clara, CA, USA.
  • Gray A; Pittsburgh Supercomputing Center, Pittsburgh, PA, USA.
  • Williams M; Pittsburgh Supercomputing Center, Pittsburgh, PA, USA.
  • Barker B; Texas Advanced Computing Center, Austin, TX, USA.
  • Rajapaksha H; Texas Advanced Computing Center, Austin, TX, USA.
  • Pitts R; University of Bristol, UK.
  • Gibbs T; NVIDIA Corp, Santa Clara, CA, USA.
  • Stone J; University of Bristol, UK.
  • Zuckerman DM; Oracle for Research, Austin, TX, USA.
  • Mulholland AJ; Oracle for Research, Austin, TX, USA.
  • Miller T; Oracle for Research, Austin, TX, USA.
  • Jha S; NVIDIA Corp, Santa Clara, CA, USA.
  • Ramanathan A; University of Illinois at Urbana-Champaign, Urbana, IL, USA.
Int J High Perform Comput Appl ; 37(1): 28-44, 2023 Jan.
Article in English | MEDLINE | ID: covidwho-2240339
ABSTRACT
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.
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Full text: Available Collection: International databases Database: MEDLINE Topics: Variants Language: English Journal: Int J High Perform Comput Appl Year: 2023 Document Type: Article Affiliation country: 10943420221128233

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Full text: Available Collection: International databases Database: MEDLINE Topics: Variants Language: English Journal: Int J High Perform Comput Appl Year: 2023 Document Type: Article Affiliation country: 10943420221128233