Results 81 to 90 of about 2,867,791 (321)
Simulation of chemical reaction dynamics on an NMR quantum computer
, 2011 Quantum simulation can beat current classical computers with minimally a few tens of qubits and will likely become the first practical use of a quantum computer.
C. Zalka +12 more
core +1 more source
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
wiley +1 more source
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
doaj +1 more source
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
doaj +1 more source
Control through operators for quantum chemistry [PDF]
, 2012 We consider the problem of operator identification in quantum control. The free Hamiltonian and the dipole moment are searched such that a given target state is reached at a given time. A local existence result is obtained.
Laurent, Philippe +3 more
core +4 more sources
Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics
Chemical Reviews, 2023 When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called polaritons, are formed due to quantum light–matter interactions.
Arkajit Mandal +5 more
semanticscholar +1 more source
Advanced Engineering Materials, EarlyView.Carbon nanomaterial‐reinforced epoxy composites exhibit pronounced piezoresistive behavior, enabling intrinsic damage sensing under cyclic and fatigue loading. This review critically compares carbon nanotube and graphene systems, correlating filler content, percolation threshold, and gauge factor with sensing stability and damage evolution.
J. M. Parente +3 more
wiley +1 more source
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
doaj +1 more source
First-Principles Analysis of Molecular Conduction Using Quantum Chemistry Software
, 2002 We present a rigorous and computationally efficient method to do a parameter-free analysis of molecular wires connected to contacts. The self-consistent field approach is coupled with Non-equilibrium Green's Function (NEGF) formalism to describe ...
Andres +53 more
core +2 more sources
Influence of an Argon/Silane Atmosphere on the Temperature of a Thermal Plasma
Advanced Engineering Materials, EarlyView.The influence of a silane‐doped argon atmosphere on the chemical composition and temperature of a thermal nontransferring argon plasma is investigated using optical emission spectroscopy. As a result of the high amount of free electrons resulting from the stepwise ionization and dissociation of the silane molecule, even a silane addition of 0.01 vol ...
Lena Kreie +4 more
wiley +1 more source