Zobrazeno 1 - 10
of 180
pro vyhledávání: '"Julia E. Rice"'
Autor:
Tanvi P. Gujarati, Mario Motta, Triet Nguyen Friedhoff, Julia E. Rice, Nam Nguyen, Panagiotis Kl. Barkoutsos, Richard J. Thompson, Tyler Smith, Marna Kagele, Mark Brei, Barbara A. Jones, Kristen Williams
Publikováno v:
npj Quantum Information, Vol 9, Iss 1, Pp 1-10 (2023)
Abstract Modeling electronic systems is an important application for quantum computers. In the context of materials science, an important open problem is the computational description of chemical reactions on surfaces. In this work, we outline a work
Externí odkaz:
https://doaj.org/article/8ae13659cb894a4bb5db66cdcf86023a
Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory
Publikováno v:
The Journal of Physical Chemistry A. 127:3437-3448
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b912e2be52b3cdf1ec307af94a219711
https://doi.org/10.1021/acs.jpca.2c08430
https://doi.org/10.1021/acs.jpca.2c08430
Autor:
Mario Motta, Gavin O. Jones, Julia E. Rice, Tanvi P. Gujarati, Rei Sakuma, Ieva Liepuoniute, Jeannette M. Garcia, Yu-ya Ohnishi
Publikováno v:
Chemical Science. 14:2915-2927
The computational description of correlated electronic structure, and particularly of excited states of many-electron systems, is an anticipated application for quantum devices. An important ramification is to determine the dominant molecular fragmen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef74d4c63e730f20543c5ee50842f866
https://doi.org/10.1039/d2sc06019a
https://doi.org/10.1039/d2sc06019a
Publikováno v:
ACS Omega, Vol 3, Iss 11, Pp 16035-16039 (2018)
Externí odkaz:
https://doaj.org/article/996ef2acca9346d58b9e9175b762d7bf
Autor:
Daniel J. Coady, Haritz Sardon, Gavin O. Jones, Robert M. Waymouth, Julia E. Rice, Yi Yan Yang, Amanda C. Engler, James L. Hedrick, Hans W. Horn
Publikováno v:
ACS macro letters. 2(4)
Organic acids were explored as a means to expand the library of cyclic carbonate monomers capable of undergoing controlled ring-opening polymerization. Various nitrogenous bases have proven incredibly adept at polymerizing cyclic carbonates; however,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b9042bab79a33b9af4e58a0c1e70d02
https://pubmed.ncbi.nlm.nih.gov/35581756
https://pubmed.ncbi.nlm.nih.gov/35581756
Autor:
James L. Hedrick, Alshakim Nelson, Hans W. Horn, Amanda C. Engler, Daniel J. Coady, Krishna M. Bajjuri, Gavin O. Jones, Julia E. Rice, Kazuki Fukushima
Publikováno v:
ACS macro letters. 1(1)
(−)-Sparteine is a proven organocatalyst for the ring-opening polymerization (ROP) of l-lactide, which affords polymers of controlled molecular weight and narrow polydispersity. The recent worldwide shortage of (−)-sparteine has necessitated the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b265138593e1fb3f315bfe34d7f4e61b
https://pubmed.ncbi.nlm.nih.gov/35578473
https://pubmed.ncbi.nlm.nih.gov/35578473
Autor:
James L. Hedrick, Julia E. Rice, Takashi Kato, Hans W. Horn, Kazuki Fukushima, Gavin O. Jones
Publikováno v:
Polymer Chemistry. 11:4904-4913
Environmental remediation through the recycling and upcycling of waste plastics is an urgent global concern. Accordingly, we herein demonstrate the organocatalyzed depolymerization of poly(ethylene terephthalate) (PET) with o-phenylenediamine (OPD) a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bcf1bc4d9e04b3d9311a0804039988cb
https://doi.org/10.1039/d0py00436g
https://doi.org/10.1039/d0py00436g
Quantum simulations of the hydroxide anion and hydroxyl radical are reported, employing variational quantum algorithms for near-term quantum devices. The energy of each species is calculated along the dissociation curve, to obtain information about t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a281be7d60679c856343b59c4ca392db
Autor:
Mario Motta, Julia E. Rice
Publikováno v:
WIREs Computational Molecular Science. 12
Digital quantum computers provide a computational framework for solving the Schr\"{o}dinger equation for a variety of many-particle systems. Quantum computing algorithms for the quantum simulation of these systems have recently witnessed remarkable g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71cc1594bf59e5262e89916ebc783285
https://doi.org/10.1002/wcms.1580
https://doi.org/10.1002/wcms.1580
Autor:
Pistoia Marco, James D. Whitfield, Julia E. Rice, Antonio Mezzacapo, Kanav Setia, Richard Chen
Publikováno v:
Journal of chemical theory and computation. 16(10)
Simulating molecules is believed to be one of the early-stage applications for quantum computers. Current state-of-the-art quantum computers are limited in size and coherence, therefore optimizing resources to execute quantum algorithms is crucial. I
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::028fe86d6e9cf921ec7b5ed89114e73e
https://pubmed.ncbi.nlm.nih.gov/32833450
https://pubmed.ncbi.nlm.nih.gov/32833450