Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Thom AJW"'
Unitary Coupled Cluster (UCC) approaches are an appealing route to utilising quantum hardware to perform quantum chemistry calculations, as quantum computers can in principle perform UCC calculations in a polynomially scaling fashion, as compared to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5de9bdf5bef4e500acd3676dff35e8c6
https://www.repository.cam.ac.uk/handle/1810/338827
https://www.repository.cam.ac.uk/handle/1810/338827
Massively parallel architectures offer the potential to significantly accelerate an application relative to their serial counterparts. However, not all applications exhibit an adequate level of data and/or task parallelism to exploit such platforms.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::63b748ef2212aa58c89b2c094b193635
https://www.repository.cam.ac.uk/handle/1810/288200
https://www.repository.cam.ac.uk/handle/1810/288200
Autor:
Neufeld, VA, Thom, AJW
We investigate the accuracies of different coupled cluster levels in a finite model solid, the 14 electron spin- non-polarised uniform electron gas. For densities between rs = 0.5 a0 and rs = 5 a0 , we calculate ground state correlation energies with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::76cfd22226b85317bf5479daf46e49a6
https://www.repository.cam.ac.uk/handle/1810/273896
https://www.repository.cam.ac.uk/handle/1810/273896
Autor:
Scott, CJC, Thom, AJW
We consider the sampling of the coupled cluster expansion within stochastic coupled cluster theory. Observing the limitations of previous approaches due to the inherently non-linear behavior of a coupled cluster wavefunction representation, we propos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::db325ad9f6707b030fc5faeecb71beec
We consider a new formulation of the stochastic coupled cluster method in terms of the similarity transformed Hamiltonian. We show that improvement in the granularity with which the wavefunction is represented results in a reduction in the critical p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______109::4ead5359c134c653955ee6ff35822819
https://www.repository.cam.ac.uk/handle/1810/253231
https://www.repository.cam.ac.uk/handle/1810/253231
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Alavi A, Allen M, Atalar K, Berkelbach TC, Booth GH, Burton HGA, Chan GK, Craciunescu L, Danilov D, Dobrautz W, Evangelista FA, Filip MA, Giner E, Greene-Diniz G, Grüneis A, Guo Y, Harsha G, Ibrahim B, Kapil V, Kats D, Knowles PJ, Lepetit MB, Liao K, Li Manni G, Loos PF, Magnusson E, Marie A, Mejuto-Zaera C, Neese F, Nejad A, Neufeld VA, Pernal K, Plasser F, Prentice AW, Ravindran V, Rehman U, Reiher M, Schilling C, Scuseria G, Shee J, Shi BX, Szenes K, Tew DP, Thom AJW, Wang Z, Zgid D, Zhu A, Zwijnenburg MA
Publikováno v:
Faraday discussions [Faraday Discuss] 2024 Nov 06; Vol. 254 (0), pp. 451-499. Date of Electronic Publication: 2024 Nov 06.
Autor:
Alavi A, Atalar K, Berkelbach TC, Booth GH, Chen J, Danilov D, Dobrautz W, Evangelista FA, Harsha G, Kapil V, Liao K, Loos PF, Nandipati KR, Plasser F, Prentice AW, Reiher M, Rubenstein B, Shi BX, Thom AJW, Wang Z, Mejuto-Zaera C, Zgid D, Zwijnenburg MA
Publikováno v:
Faraday discussions [Faraday Discuss] 2024 Nov 06; Vol. 254 (0), pp. 570-585. Date of Electronic Publication: 2024 Nov 06.
Autor:
Abraham V, Atalar K, Berard KO, Booth GH, Burton HGA, Chan GK, Evangelista FA, Filip MA, Giner E, Gunasekera A, Knowles PJ, Lepetit MB, Liao K, Loos PF, Magnusson E, Mayhall NJ, Mejuto-Zaera C, Neese F, Neufeld VA, Ntola P, Plasser F, Ravindran V, Schilling C, Scuseria G, Shee J, Shi BX, Tew DP, Thom AJW, Wang Z, Zgid D
Publikováno v:
Faraday discussions [Faraday Discuss] 2024 Nov 06; Vol. 254 (0), pp. 191-215. Date of Electronic Publication: 2024 Nov 06.
Autor:
Zhao Z; Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge, UK. zz376@cantab.ac.uk., Filip MA; Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge, UK. zz376@cantab.ac.uk., Thom AJW; Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge, UK. zz376@cantab.ac.uk.
Publikováno v:
Faraday discussions [Faraday Discuss] 2024 Nov 06; Vol. 254 (0), pp. 429-450. Date of Electronic Publication: 2024 Nov 06.