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

33 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Publication Date timeline is not available.
Page 1
Localized Quantum Chemistry on Quantum Computers.
Otten M, Hermes MR, Pandharkar R, Alexeev Y, Gray SK, Gagliardi L. Otten M, et al. Among authors: alexeev y. J Chem Theory Comput. 2022 Dec 13;18(12):7205-7217. doi: 10.1021/acs.jctc.2c00388. Epub 2022 Nov 8. J Chem Theory Comput. 2022. PMID: 36346785 Free PMC article.
Component-based integration of chemistry and optimization software.
Kenny JP, Benson SJ, Alexeev Y, Sarich J, Janssen CL, McInnes LC, Krishnan M, Nieplocha J, Jurrus E, Fahlstrom C, Windus TL. Kenny JP, et al. Among authors: alexeev y. J Comput Chem. 2004 Nov 15;25(14):1717-25. doi: 10.1002/jcc.20091. J Comput Chem. 2004. PMID: 15362128
NWChem: Past, present, and future.
Aprà E, Bylaska EJ, de Jong WA, Govind N, Kowalski K, Straatsma TP, Valiev M, van Dam HJJ, Alexeev Y, Anchell J, Anisimov V, Aquino FW, Atta-Fynn R, Autschbach J, Bauman NP, Becca JC, Bernholdt DE, Bhaskaran-Nair K, Bogatko S, Borowski P, Boschen J, Brabec J, Bruner A, Cauët E, Chen Y, Chuev GN, Cramer CJ, Daily J, Deegan MJO, Dunning TH Jr, Dupuis M, Dyall KG, Fann GI, Fischer SA, Fonari A, Früchtl H, Gagliardi L, Garza J, Gawande N, Ghosh S, Glaesemann K, Götz AW, Hammond J, Helms V, Hermes ED, Hirao K, Hirata S, Jacquelin M, Jensen L, Johnson BG, Jónsson H, Kendall RA, Klemm M, Kobayashi R, Konkov V, Krishnamoorthy S, Krishnan M, Lin Z, Lins RD, Littlefield RJ, Logsdail AJ, Lopata K, Ma W, Marenich AV, Martin Del Campo J, Mejia-Rodriguez D, Moore JE, Mullin JM, Nakajima T, Nascimento DR, Nichols JA, Nichols PJ, Nieplocha J, Otero-de-la-Roza A, Palmer B, Panyala A, Pirojsirikul T, Peng B, Peverati R, Pittner J, Pollack L, Richard RM, Sadayappan P, Schatz GC, Shelton WA, Silverstein DW, Smith DMA, Soares TA, Song D, Swart M, Taylor HL, Thomas GS, Tipparaju V, Truhlar DG, Tsemekhman K, Van Voorhis T, Vázquez-Mayagoitia Á, Verma P, Villa O, Vishnu A, Vogiatzis KD, Wang D, We… See abstract for full author list ➔ Aprà E, et al. Among authors: alexeev y. J Chem Phys. 2020 May 14;152(18):184102. doi: 10.1063/5.0004997. J Chem Phys. 2020. PMID: 32414274 Free article.
Ab initio molecular dynamics on quantum computers.
Fedorov DA, Otten MJ, Gray SK, Alexeev Y. Fedorov DA, et al. Among authors: alexeev y. J Chem Phys. 2021 Apr 28;154(16):164103. doi: 10.1063/5.0046930. J Chem Phys. 2021. PMID: 33940828
33 results