Results 101 to 110 of about 3,910,302 (248)
Doped helium clusters analyzed through quantum chemistry methods
, 2007 20 pages, 8 figures, 3 tables.-- Issue title: "Proceedings from the Eleventh European Workshop on Quantum Systems in Chemistry and Physics"; Oleg Vasyutinskii, Jean Maruani, Piotr Piecuch, Gerardo Delgado-Barrio and Stephen Wilson, eds.A quantum ...
R. Prosmiti +16 more
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Advanced Functional Materials, EarlyView.A post‐growth method is demonstrated to realize energy‐tunable quantum emitters in GaAs/GaAsN/GaAs core–multishell nanowires on a Si substrate. By combining the N‐induced bandgap reduction with H‐ion irradiation, the GaAsN potential landscape is engineered, enabling isolated, narrow emission lines that function as single‐photon sources with g(2)(0) ∼ 0.
Akant Sagar Sharma +10 more
wiley +1 more source
Faster quantum chemistry simulation on fault-tolerant quantum computers
New Journal of Physics, 2012 Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. We propose methods which substantially improve the performance of a particular form of simulation, ab ...
N Cody Jones +6 more
doaj +1 more source
Book Review of Quantum Chemistry, 2nd Edition [PDF]
, 2010 This article presents a review of the second edition of Quantum Chemistry by D.A. McQuarrie.Reprinted (adapted) with permission from J. Chem. Educ., 2010, 87 (6), pp 586–586. Copyright 2010 American Chemical Society.
Holme, Thomas
core
Advanced Functional Materials, EarlyView.We demonstrate that halide composition determines phase morphology, governing distinct operating mechanisms in mixed halide perovskites. Phase segregating 75% Br compositions enhance solar cell performance, whereas intrinsically phase‐separated 95% Br compositions provide stable light emitting diodes.
Tal Binyamin +6 more
wiley +1 more source
Quantum-selected configuration interaction with time-evolved state
Physical Review ResearchQuantum-selected configuration interaction (QSCI) utilizes an input quantum state on a quantum device to select important bases (electron configurations in quantum chemistry) that define a subspace in which to diagonalize a target Hamiltonian, i.e ...
Mathias Mikkelsen, Yuya O. Nakagawa
doaj +1 more source
High‐Efficiency Quantum Defect Generation in Carbon Nanotubes via Oxygen‐Free Photochemistry
Advanced Functional Materials, EarlyView.We show that oxygen plays an important role in quantum defect formation in carbon nanotubes and identify reaction conditions to create a range of different quantum defects for photonics and biosensing. ABSTRACT Single‐walled carbon nanotubes (SWCNTs) offer potential for a wide range of applications from optoelectronic devices to biomedical diagnostics.
Christina Derichsweiler +6 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Solvent‐composition‐controlled film formation enables high‐performance (efficiency = 18.66%) and air‐stable terpene‐processed organic solar cells. An optimized eucalyptol/tetralin ratio of 50:50 (v/v) balances molecular solvation and aggregation kinetics, producing favorable nanoscale phase separation and vertical composition gradients.
Hyerin Jeon +4 more
wiley +1 more source
Discover ChemistryBackground Green organic synthesis has emerged as an area of interest in drug discovery research because of the environmental, regulatory, and economic challenges associated with traditional synthetic methods.
Annasaheb S. Gaikwad
doaj +1 more source
Advanced Functional Materials, EarlyView.Unlocking thermomagnetic low‐grade waste heat recovery. This perspective provides a comprehensive roadmap for the development of thermomagnetic materials and systems. By addressing key engineering challenges across multiple scales, it bridges the gap between micro‐power IoT devices and large‐scale industrial applications. ABSTRACT Nearly half of global
A. Waske +13 more
wiley +1 more source