Electronic structure simulations in the cloud computing environment.
Bylaska EJ, Panyala A, Bauman NP, Peng B, Pathak H, Mejia-Rodriguez D, Govind N, Williams-Young DB, Aprà E, Bagusetty A, Mutlu E, Jackson KA, Baruah T, Yamamoto Y, Pederson MR, Withanage KPK, Pedroza-Montero JN, Bilbrey JA, Choudhury S, Firoz J, Herman KM, Xantheas SS, Rigor P, Vila FD, Rehr JJ, Fung M, Grofe A, Johnston C, Baker N, Kaneko K, Liu H, Kowalski K.
Bylaska EJ, et al. Among authors: jackson ka.
J Chem Phys. 2024 Oct 21;161(15):150902. doi: 10.1063/5.0226437.
J Chem Phys. 2024.
PMID: 39431777