Ru, Beverly https://orcid.org/0000-0003-1258-6224
Hart, C. Annie https://orcid.org/0000-0003-2849-9379
Mabbs, Richard https://orcid.org/0000-0002-1123-748X
Gozem, Samer https://orcid.org/0000-0002-6429-2853
Krylov, Anna I. https://orcid.org/0000-0001-6788-5016
Sanov, Andrei https://orcid.org/0000-0002-2373-4387
Funding for this research was provided by:
American Chemical Society Petroleum Research Fund (60837-DNI6)
San Diego Supercomputer Center (CHE180027)
National Science Foundation (CHE-1664732, CHE-2153986, CHE-2154482)