Pressure‐assisted decomposition of tricresyl phosphate on amorphous FeO using hybrid quantum‐classical simulations
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27039
Abstract: The moving components of combustion engines are operated under harsh conditions of high pressures and temperatures. Extreme‐pressure anti‐wear additives, such as tricresyl phosphate (TCP), are mixed with base oil to prevent wear through the formation… read more here.
Keywords: tricresyl phosphate; using hybrid; pressure; quantum classical ... See more keywords
Modeling of heterogeneous catalysts based on silica and zeolites by the hybrid quantum chemical embedded cluster method
Sign Up to like & getrecommendations! Published in 2017 at "Russian Chemical Bulletin"
DOI: 10.1007/s11172-017-1808-6
Abstract: The review is dedicated to the elaboration and application of hybrid quantum mechani-cal/molecular mechanical methods for heterogeneous catalytic systems, including single atoms and clusters of transition metals immobilized on covalent oxide supports. The following issues… read more here.
Keywords: hybrid quantum; heterogeneous catalysts; method; modeling heterogeneous ... See more keywords
A hybrid quantum-based PIO algorithm for global numerical optimization
Sign Up to like & getrecommendations! Published in 2018 at "Science China Information Sciences"
DOI: 10.1007/s11432-018-9546-4
Abstract: A novel hybrid quantum-based pigeon-inspired optimization (PIO) algorithm for global numerical optimization is proposed to perceive deceptiveness and preserve diversity. In the proposed algorithm, the current best solution is regarded as a linear superposition of… read more here.
Keywords: quantum based; algorithm; hybrid quantum; pio algorithm ... See more keywords
Mechanistic study of the biosynthesis of R-phenylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simulations.
Sign Up to like & getrecommendations! Published in 2021 at "Archives of biochemistry and biophysics"
DOI: 10.1016/j.abb.2021.108807
Abstract: The biosynthesis of R-phenylacetylcarbinol (R-PAC) by the acetohydroxy acid synthase, (AHAS) is addressed by molecular dynamics simulations (MD), hybrid quantum mechanics/molecular mechanics (QM/MM), and QM/MM free energy calculations. The results show the reaction starts with… read more here.
Keywords: biosynthesis; hybrid quantum; molecular mechanics; mechanics molecular ... See more keywords
An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.6b01125
Abstract: In this work, we report two polarizable molecular mechanics (polMM) force field models for estimating the polarization energy in hybrid quantum mechanical molecular mechanical (QM/MM) calculations. These two models, named the potential of atomic charges… read more here.
Keywords: force field; hybrid quantum; molecular mechanical; polarization ... See more keywords
Picoseconds-Limited Exciton Recombination in Metal-Organic Chalcogenides Hybrid Quantum Wells.
Sign Up to like & getrecommendations! Published in 2022 at "ACS nano"
DOI: 10.1021/acsnano.1c07281
Abstract: Metal-organic species can be designed to self-assemble in large-scale, atomically defined, supramolecular architectures. A particular example is hybrid quantum wells, where inorganic two-dimensional (2D) planes are separated by organic ligands. The ligands effectively form an… read more here.
Keywords: quantum wells; organic chalcogenides; metal organic; hybrid quantum ... See more keywords
Barren plateaus in quantum neural network training landscapes
Sign Up to like & getrecommendations! Published in 2018 at "Nature Communications"
DOI: 10.1038/s41467-018-07090-4
Abstract: Many experimental proposals for noisy intermediate scale quantum devices involve training a parameterized quantum circuit with a classical optimization loop. Such hybrid quantum-classical algorithms are popular for applications in quantum simulation, optimization, and machine learning.… read more here.
Keywords: quantum; hybrid quantum; classical algorithms; quantum classical ... See more keywords
Hybrid quantum-classical approach to enhanced quantum metrology
Sign Up to like & getrecommendations! Published in 2021 at "Scientific Reports"
DOI: 10.1038/s41598-020-80070-1
Abstract: Quantum metrology plays a fundamental role in many scientific areas. However, the complexity of engineering entangled probes and the external noise raise technological barriers for realizing the expected precision of the to-be-estimated parameter with given… read more here.
Keywords: hybrid quantum; quantum classical; classical approach; quantum metrology ... See more keywords
Hybrid quantum computing based early detection of skin cancer
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Interdisciplinary Mathematics"
DOI: 10.1080/09720502.2020.1731948
Abstract: Abstract As image processing techniques constantly grow in complexity & volume, meeting the required demand for data storage and computational power is a challenge. Using hybrid quantum-mechanical systems to encode and process image information could… read more here.
Keywords: quantum computing; quantum; skin cancer; hybrid quantum ... See more keywords
Universal hybrid quantum computing in trapped ions
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review A"
DOI: 10.1103/physreva.104.032609
Abstract: Using discrete and continuous variable subsystems, hybrid approaches to quantum information could enable more quantum computational power for the same physical resources. Here, we propose a hybrid scheme that can be used to generate the… read more here.
Keywords: quantum computing; universal hybrid; computing trapped; trapped ions ... See more keywords
Hybrid Quantum-Classical Hierarchy for Mitigation of Decoherence and Determination of Excited States
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review A"
DOI: 10.1103/physreva.95.042308
Abstract: Author(s): McClean, JR; Kimchi-Schwartz, ME; Carter, J; De Jong, WA | Abstract: © 2017 American Physical Society. Using quantum devices supported by classical computational resources is a promising approach to quantum-enabled computation. One powerful example… read more here.
Keywords: hybrid quantum; quantum classical; hierarchy; decoherence ... See more keywords