Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

165 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Publication Date timeline is not available.
Page 1
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: bauman np. J Chem Phys. 2024 Oct 21;161(15):150902. doi: 10.1063/5.0226437. J Chem Phys. 2024. PMID: 39431777
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: bauman np. 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: bauman np. J Chem Phys. 2023 Jul 14;159(2):024801. doi: 10.1063/5.0142433. J Chem Phys. 2023. PMID: 37428065
165 results