Quantum Chemistry

440 papers for year 2021

Quantum Chemistry Research Context

This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.

Showing 289-300 of 440

Quantum calibrated magnetic force microscopy

Baha Sakar, Yan Liu, Sibylle Sievers, Volker Neu, Johannes Lang, Christian Osterkamp, Matthew L. Markham, Osman Öztürk, Fedor Jelezko, Hans W. Schumacher

2021 Crossref Physical Review B

Quantum Chemical Calculations of 2-Methoxy-4-[(3-p-Methylbenzyl-4,5-Dihydro-1H-1,2,4-Trıazol-5-One-4-YL)Azomethine] Phenyl-2-Methylbenzoate Molecule

Gul KOTAN, Haydar YUKSEK

2021 Crossref The Eurasia Proceedings of Science Technology Engineering and Mathematics

Quantum chemical calculations of lithium-ion battery electrolyte and interphase species

Evan Walter Clark Spotte-Smith, Samuel M. Blau, Xiaowei Xie, Hetal D. Patel, Mingjian Wen, Brandon Wood, Shyam Dwaraknath, Kristin Aslaug Persson

2021 DOAJ Scientific Data

Quantum chemical modeling of the structure and properties of SnO2 nanoclusters

Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine, O. V. Filonenko, A. G. Grebenyuk, Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine, V. V. Lobanov, Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine

2021 Crossref Himia, Fizika ta Tehnologia Poverhni

Quantum chemical study on the interaction of arginine with silica surface

Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine, A. A. Kravchenko, E. M. Demianenko, Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine, A. G. Grebenyuk, Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine, M. I. Terets, Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine, M. G. Portna, Kyiv Vocational College of Computer Technology and Economics of the National Aviation University Ukraine, V. V. Lobanov, Chuiko Institute of Surface Chemistry of National Academy of Sciences of Ukraine

2021 Crossref Himia, Fizika ta Tehnologia Poverhni

Quantum Circuits For Two-Dimensional Isometric Tensor Networks

Lucas Slattery, Bryan K. Clark

2021 arXiv arXiv preprint

Quantum computation of molecular structure using data from challenging-to-classically-simulate nuclear magnetic resonance experiments

Thomas E. O'Brien, Lev B. Ioffe, Yuan Su, David Fushman, Hartmut Neven, Ryan Babbush, Vadim Smelyanskiy

2021 arXiv arXiv preprint

Quantum computational study of chloride ion attack on chloromethane for chemical accuracy and quantum noise effects with UCCSD and k-UpCCGSD ansatzes

Hocheol Lim, Hyeon-Nae Jeon, June-Koo Rhee, Byungdu Oh, Kyoung Tai No

2021 arXiv arXiv preprint

Quantum computing for classical problems: Variational Quantum Eigensolver for activated processes

Pierpaolo Pravatto, Davide Castaldo, Federico Gallina, Barbara Fresch, Stefano Corni, Giorgio J. Moro

2021 arXiv arXiv preprint

Quantum Correlated Heat Engine In XY Chainwith Dzyaloshinskii-Moriya Interactions

Asadian M, Ahadpour S, Mirmasoudi F.

2021 Europe PMC Europe PMC

Quantum Crystallography N-Representability

Cherif F. Matta, Lulu Huang, Lou Massa

2021 arXiv arXiv preprint

Quantum Crystallography: Projectors and kernel subspaces preserving N-representability

Cherif F. Matta, Lou Massa

2021 arXiv arXiv preprint