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NWChem: Recent and Ongoing Developments.
Mejia-Rodriguez D, Aprà E, Autschbach J, Bauman NP, Bylaska EJ, Govind N, Hammond JR, Kowalski K, Kunitsa A, Panyala A, Peng B, Rehr JJ, Song H, Tretiak S, Valiev M, Vila FD. Mejia-Rodriguez D, et al. Among authors: panyala a. J Chem Theory Comput. 2023 Oct 24;19(20):7077-7096. doi: 10.1021/acs.jctc.3c00421. Epub 2023 Jul 17. J Chem Theory Comput. 2023. PMID: 37458314
TAMM: Tensor algebra for many-body methods.
Mutlu E, Panyala A, Gawande N, Bagusetty A, Glabe J, Kim J, Kowalski K, Bauman NP, Peng B, Pathak H, Brabec J, Krishnamoorthy S. Mutlu E, et al. Among authors: panyala a. J Chem Phys. 2023 Jul 14;159(2):024801. doi: 10.1063/5.0142433. J Chem Phys. 2023. PMID: 37428065
PluginPlay: Enabling exascale scientific software one module at a time.
Richard RM, Keipert K, Waldrop J, Keçeli M, Williams-Young D, Bair R, Boschen J, Crandall Z, Gasperich K, Mahmud QI, Panyala A, Valeev E, van Dam H, de Jong WA, Windus TL. Richard RM, et al. Among authors: panyala a. J Chem Phys. 2023 May 14;158(18):184801. doi: 10.1063/5.0147903. J Chem Phys. 2023. PMID: 37171197
16 results