… Assistant Professor at Heriot Watt ; Philip Saville was a postdoc on my grant "Quantum programming via algebraic effects" (2021-2024), now a Lecturer at University of Sussex; Satoshi Kura was a JSPS overseas research fellow (2022-2024), now an Assistant Professor at Waseda Unive…
…anfarillo, J. J. Hamlin, G. R. Stewart, R. G. Hennig, and P. J. Hirschfeld, npj Quantum Materials 9, 89 (2024), [doi:10.1038/s41535-024-00690-y] . Effect of low-temperature compression on superconductivity and crystal structure in strontium metal. J. Lim, S. Sinha, D. E. Jackson,…
…t of Chemistry Chemistry Computational and Data Science, Ph.D. Chemistry [M.S.] Quantum Degree Information PHD, Dalhousie University (1996) BS, Nanjing University (1985) Areas of Expertise The main theme of our research is to develop and apply density functional theory (DFT) meth…
…t Members Alumni RESEARCH Overview Theory & Computation Next-Generation Devices Quantum Materials Projects PUBLICATION Representative Articles Articles & Patents Invited Talks Presentations Gallery TEACHING Courses Wiki External COMMUNITY News Album Facilities Contact Professor C…
…lana P. Palamar Svitlana M. Amelina Anzhelina V. Puhach From cloud computing to quantum informatics: Advances in educational technology at CoSinE 2024. CoSinE 2024 1-12 [c83] Serhiy O. Semerikov Mykhailo V. Foki Dmytro S. Shepiliev Mykhailo M. Mintii Iryna S. Mintii Olena H. Kuzm…
…o de Química, Universidade de São Paulo (Brazil) focusing on the application of quantum-chemical methods to rationalize efficient electronically excited state formation in chemical transformations. Supervisors: Prof. Dr. Wilhelm Josef Baader, Prof. Dr. Roland Lindh, and Dr. Marcu…
…iew in: PubMed Mentions: 25 Fields: Vindication of Yb2Ti2O7 as a model exchange quantum spin ice. Phys Rev Lett. 2012 Aug 31; 109(9):097205. Applegate R , Hayre NR, Singh RR, Lin T, Day AG, Gingras MJ. PMID: 23002878. View in: PubMed Mentions: 3 Fields: Impact of rocuronium vs su…
…ription of tunnelling phenomena in the semi-classical approximation in ordinary quantum mechanics and in quantum field theory. In particular, we describe in detail the calculation, up to the first quantum corrections, of the decay probability per unit time of a metastable ground …
…act: In this study, a detailed topological charge density analysis based on the quantum theory of atoms in mole- cules (QTAIM) developed by Bader and co-workers, has been accomplished (using the B3LYP method) on the CB62– anion and three planar isomers of the C3B4 species, which …
…778443 . View in: PubMed Mentions: 92 Fields: Translation: Humans Animals Cells Quantum mechanics/molecular mechanics modeling of fatty acid amide hydrolase reactivation distinguishes substrate from irreversible covalent inhibitors. J Med Chem. 2013 Mar 28; 56(6):2500-12. Lodola …
…apply physics-based and data-driven computational methods on both classical and quantum computers to understand multiscale processes, from electronic structures to emergent properties. We develop design strategies for molecules, materials, and processes that matter in renewable e…
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