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Inspired by the classical PSO method and quantum mechanics theories, this work presents novel quantum-behaved PSO (QPSO) approaches using mutation operator with Gaussian probability distribution.
Inspired by the classical PSO method and quantum mechanics theories, this work presents a novel Quantum-behaved PSO (QPSO) using chaotic mutation operator.
A triple-signal amplification strategy was proposed for highly sensitive and selective detection of thymine DNA glycosylase (TDG) by coupling a dendrimer-like DNA label with the electrochemical method and quantum dots (QDs) tagging.
Therefore, we have developed a fast computational protocol to build predictive models combining interaction energy descriptors from an empirical docking scoring function (Glide-Schrödinger), Linear Interaction Energy (LIE) method, and quantum mechanical density functional theory (QM-DFT) calculations.
In the last decades, a number of novel techniques (like the ultrafast optical switch, the nonlinear method and quantum cascade lasers) innovated the field of THz optoelectronics.
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The fabrication methods and quantum behaviors of nanoscale devices are crucial to information processing, energy harvesting, medical imaging and many other technologies.
The adsorption behavior of these molecules at the Fe surface was studied by the molecular dynamics simulation method and the quantum chemical calculations.
The Renaissance of the 15th and 16th centuries represented not simply a "rebirth" of learning (including the translation of Arabic texts into Latin), and the revival of the Greek spirit of critical inquiry, but also the rise of experimental philosophy, the birth of the scientific method, and a quantum leap in scientific knowledge.
Consider a quantum system, A, that cannot be studied by conventional theoretical and experimental methods, and another quantum system, B, that can be built and controlled with high precision in the laboratory.
We have used molecular dynamics (MD) methods and combined quantum mechanical/molecular mechanical (QM/MM) methods to study a series of proteins either whose substrates are too far away from the catalytic center or whose experimentally resolved substrate binding modes cannot explain the observed product distribution.
In particular we describe the use of combined quantum mechanics/molecular mechanics (QM/MM) methods in classical and quantum simulations.
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