Results 61 to 70 of about 2,318,291 (294)
CHIMIA, 1999 As an example of our work, a recent study of the Rydberg states and dissociation pathways of the H3O Rydberg radical is reviewed.
Martin Jungen
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Quantum Chemistry Calculations on a Trapped-Ion Quantum Simulator [PDF]
Physical Review X, 2018 Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science.
Cornelius Hempel +12 more
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Advanced Engineering Materials, Volume 27, Issue 6, March 2025.ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur +5 more
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Simulating quantum chemistry in the seniority-zero space on qubit-based quantum computers
, 2021 Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.
V. Elfving +3 more
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Advanced Engineering Materials, EarlyView.A stretchable carbon composite is integrated by stencil printing onto two different types of textile, with different yarn morphologies. The impact of the knit structure and coating direction on the performance of the sensor composite is evaluated and used to derive a model estimating nominal resistance at a given strain near the percolation threshold ...
Gabriela Ananieva +2 more
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Physical Review Research, 2022 Long-range interactions play a key role in several phenomena of quantum physics and chemistry. To study these phenomena, analog quantum simulators provide an appealing alternative to classical numerical methods.
J. Knörzer +8 more
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Advanced Engineering Materials, EarlyView.An idea of designing novel sensors is proposed by creating appropriate Schottky barriers and vacancies between isomorphous Core‐CuOii/ Shell‐CuOi secondary microspheres and enhancing catalytic and spill‐over effects, and electronegativity via spontaneous biphasic separation, self‐assembly, and trace‐Ni‐doping.
Bala Ismail Adamu +8 more
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NanomaterialsQuantum computing leverages the principles of quantum mechanics in novel ways to tackle complex chemistry problems that cannot be accurately addressed using traditional quantum chemistry methods.
Dominic Alfonso +3 more
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Quantum chemical exercise linking computational chemistry to general chemistry topics
Chemistry Teacher International, 2020 Students in a second semester general chemistry course used quantum chemical calculations to investigate and reinforce general chemistry concepts. Students explored the isomers of hypochlorous acid, made predictions of miscibility via dipole moments ...
Simpson Scott +5 more
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Parallel quantum chemistry on noisy intermediate-scale quantum computers
Physical Review Research, 2022 A parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory (RDMFT) formulation of
Robert Schade +5 more
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