“…It is known that weak certified randomness can be amplified to nearly ideal randomness using quantum-mechanical systems. However, so far, it was unclear whether randomness amplification is a realistic task, as the existing proposals either do not tolerate noise or require an unbounded number of different devices. …”
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“…[Image: see text] Despite the inherently quantum mechanical nature of hydrogen bonding, it is unclear how nuclear quantum effects (NQEs) alter the strengths of hydrogen bonds. …”
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“…To investigate the phosphoryl-transfer mechanism catalyzed by human uMtCK, in this work, molecular dynamic simulations of uMtCK∙ATP-Mg(2+)∙creatine complex and quantum mechanism calculations were performed to make clear the puzzle. …”
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“…The statistical properties of photons are fundamental to investigating quantum mechanical phenomena using light. In multiphoton, two-mode systems, correlations may exist between outcomes of measurements made on each mode which exhibit useful properties. …”
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“…Here by treating the driving laser field quantum mechanically we reveal the quantum-optical nature of the high-order harmonic generation process by measuring the photon number distribution of the infrared light exiting the harmonic generation medium. …”
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“…The reliable and precise evaluation of receptor–ligand interactions and pair‐interaction energy is an essential element of rational drug design. While quantum mechanical (QM) methods have been a promising means by which to achieve this, traditional QM is not applicable for large biological systems due to its high computational cost. …”
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“…Within the framework of recursive centralized fusion model, the proposed method incorporates a correlation coefficient, which measures the relevance between evidence and a quantum mechanical approach, which is based on the parameters of radar itself. …”
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“…The origin of preferred orientation of emitting dipole of iridium-based heteroleptic phosphorescent dyes doped in organic layers is revealed by simulation of vacuum deposition using molecular dynamics along with quantum mechanical characterization of the phosphors. Consideration of both the electronic transitions in a molecular frame and the orientation of the molecules at the vacuum/molecular film interface allows quantitative analyses of the emitting dipole orientation depending on host molecules and dopant structures. …”
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“…A cooperative network of dispersive Au···C–H and/or Au···π interactions, supported by quantum mechanical calculations and time-resolved luminescence experiments, is proposed to be at the origin of this stabilization.…”
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“…Here we report combined MALDI-TOF MS experiments, NMR analyses and quantum mechanical/molecular dynamics studies on human KMT-catalyzed methylation of the most related shorter and longer lysine analogues, namely ornithine and homolysine, in model histone peptides. …”
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“…Negatively-charged electret materials (polyethylene, ethylene-tetra-fluoro-ethylene, poly-tetra-fluoro-ethylene, and CYTOP) are analyzed by quantum mechanical calculation. Density functional theory with long-range correction is adopted to analyze orbital energies of single molecular systems. …”
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“…Realizing quantum mechanical behavior in micro- and nanomechanical resonators has attracted continuous research effort. …”
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“…These results offer opportunities to understand the molecular dynamics of highly excited species involved in radiation damage and astrochemistry, and the role of quantum mechanical effects in these contexts.…”
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“…By employing the ab initio no-core shell model with continuum reaction method to solve the quantum mechanical five-nucleon problem, we accurately determine the enhanced fusion rate and angular distribution of the emitted neutron and (4)He. …”
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“…Computational studies aimed at understanding conformationally dependent electronic structure in soft materials require a combination of classical and quantum-mechanical simulations, for which the sampling of conformational space can be particularly demanding. …”
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“…Modeling of solid-state transitions by geometrical, molecular dynamics or quantum-mechanical methods does not account for topological transformations. …”
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“…In this paper, we introduce the quantum mechanical approach as a more physically-realistic model to accurately quantify the electron-photon interaction in Photon-induced near-field electron microscopy (PINEM). …”
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“…[Image: see text] We develop an extension of the time-dependent equation-of-motion formulation of the polarizable continuum model (EOM-TDPCM) to introduce nonequilibrium cavity field effects in quantum mechanical calculations of solvated molecules subject to time-dependent electric fields. …”
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“…In general relativity, the metric is influenced by matter, and is expected to become indefinite when matter behaves quantum mechanically. Here, we develop a framework to operationally define events and their localisation with respect to a quantum clock reference frame, also in the presence of gravitating quantum systems. …”
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“…GFN‐FF outperforms other force fields in terms of generality and accuracy, approaching the performance of much more elaborate quantum‐mechanical methods in many cases.…”
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