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 NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

203 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals.
Nykänen A, Miller A, Talarico W, Knecht S, Kovyrshin A, Skogh M, Tornberg L, Broo A, Mensa S, Symons BCB, Sahin E, Crain J, Tavernelli I, Pavošević F. Nykänen A, et al. Among authors: crain j. J Chem Theory Comput. 2023 Dec 26;19(24):9269-9277. doi: 10.1021/acs.jctc.3c01091. Epub 2023 Dec 11. J Chem Theory Comput. 2023. PMID: 38081802
Nonadiabatic Nuclear-Electron Dynamics: A Quantum Computing Approach.
Kovyrshin A, Skogh M, Tornberg L, Broo A, Mensa S, Sahin E, Symons BCB, Crain J, Tavernelli I. Kovyrshin A, et al. Among authors: crain j. J Phys Chem Lett. 2023 Aug 10;14(31):7065-7072. doi: 10.1021/acs.jpclett.3c01589. Epub 2023 Aug 1. J Phys Chem Lett. 2023. PMID: 37527463
Accelerating drug target inhibitor discovery with a deep generative foundation model.
Chenthamarakshan V, Hoffman SC, Owen CD, Lukacik P, Strain-Damerell C, Fearon D, Malla TR, Tumber A, Schofield CJ, Duyvesteyn HME, Dejnirattisai W, Carrique L, Walter TS, Screaton GR, Matviiuk T, Mojsilovic A, Crain J, Walsh MA, Stuart DI, Das P. Chenthamarakshan V, et al. Among authors: crain j. Sci Adv. 2023 Jun 23;9(25):eadg7865. doi: 10.1126/sciadv.adg7865. Epub 2023 Jun 21. Sci Adv. 2023. PMID: 37343087 Free PMC article.
Discussion: Prioritize perennial grain development for sustainable food production and environmental benefits.
DeHaan LR, Anderson JA, Bajgain P, Basche A, Cattani DJ, Crain J, Crews TE, David C, Duchene O, Gutknecht J, Hayes RC, Hu F, Jungers JM, Knudsen S, Kong W, Larson S, Lundquist PO, Luo G, Miller AJ, Nabukalu P, Newell MT, Olsson L, Palmgren M, Paterson AH, Picasso VD, Poland JA, Sacks EJ, Wang S, Westerbergh A. DeHaan LR, et al. Among authors: crain j. Sci Total Environ. 2023 Oct 15;895:164975. doi: 10.1016/j.scitotenv.2023.164975. Epub 2023 Jun 17. Sci Total Environ. 2023. PMID: 37336402
203 results