Results 71 to 80 of about 40,146 (286)

Computer program to simulate Raman scattering [PDF]

A computer program is described for simulating the vibration-rotation and pure rotational spectrum of a combustion system consisting of various diatomic molecules and CO2 as a function of temperature and number density. Two kinds of spectra are generated:
Carter, R., Zilles, B.
core   +1 more source

Exploring Quantum Support Vector Regression for Predicting Hydrogen Storage Capacity of Nanoporous Materials

Advanced Intelligent Discovery, EarlyView.
In this study we employed support vector regressor and quantum support vector regressor to predict the hydrogen storage capacity of metal–organic frameworks using structural and physicochemical descriptors. This study presents a comparative analysis of classical support vector regression (SVR) and quantum support vector regression (QSVR) in predicting ...
Chandra Chowdhury
wiley   +1 more source

Quantum Computation with Diatomic Bits in Optical Lattices

, 2005
We propose a scheme for scalable and universal quantum computation using diatomic bits with conditional dipole-dipole interaction, trapped within an optical lattice.
A. M. Childs, C. H. Bennett, Chaohong Lee, Elena A. Ostrovskaya, J. Preskill, M. A. Nielsen, O. Mandel, P. W. Shor, W. Demtröder   +8 more
core   +1 more source

Autonomous Machine Learning‐Based Classification and Arrangement of Submillimeter Objects Using a Capillary Force Gripper

Advanced Intelligent Discovery, EarlyView.
This study presents an automated system integrating a capillary force gripper and machine learning‐based object detection for sorting and placing submillimeter objects. The system achieved stable and simultaneous manipulation of four object types, with an average task time of 86.0 seconds and a positioning error of 157 ± 84 µm, highlighting its ...
Satoshi Ando, Naoto Watanabe, Chihiro Sekine, Shogen Sekiguchi, Ohmi Fuchiwaki   +4 more
wiley   +1 more source

The statistical ensemble of q-deformed hyperbolic modified P\"oschl-Teller potential for certain diatomic molecules through Euler-Maclaurin  approach

Journal of Nigerian Society of Physical Sciences
The statistical properties are essentially needed to understand the macroscopic behaviours of atomic molecules, which is a crucial aspect of physics and chemistry research.
O. J. Olusesi, K. J. Oyewumi, W. A. Yahya   +2 more
doaj   +1 more source

Infrared spectroscopy of diatomic molecules - a fractional calculus approach

, 2012
The eigenvalue spectrum of the fractional quantum harmonic oscillator is calculated numerically solving the fractional Schr\"odinger equation based on the Riemann and Caputo definition of a fractional derivative.
Dirac P. A. M., Eid R., Erdelyi A., Greiner W., Herrmann R., Herrmann R., Herzberg G., Huygens C., Khunrath H., Krause K., Lissajous J. A., Lusztig R., Messiah A., Oldham K. B., Parisi G., Podlubny I., RICHARD HERRMANN, Rubin B., Seybold H. J., Villeneuve D. M., Whitten K. W.   +20 more
core   +1 more source

AI Guided Protein Design for Next‐Generation Autogenic Engineered Living Materials

Advanced Intelligent Systems, EarlyView.
Autogenic engineered living materials (ELMs) integrate biology and materials science to create self‐regenerating and self‐healing materials. This perspective highlights emerging strategies in protein engineering and AI‐guided de novo design to expand the capabilities of autogenic ELMs.
Hoda M. Hammad, Anna M. Duraj‐Thatte
wiley   +1 more source

Theoretical Spectroscopic Study for Some Diatomic Molecules

Ibn Al-Haitham Journal for Pure and Applied Sciences, 2017
      In this work, four electronic states ( ,   , and   ) of some diatomic molecules (InF and InCl) was studied by TD-DFT with energy represented by the exchange-correlation energy.
Adil Neama Ayyash
doaj  

CLASSICAL 1D LINEAR MODELS FOR INFRARED ABSORPTION AND ESTIMATES FOR THE VIBRATIONAL AMPLITUDES AND ENERGY OF NaCl IONIC COMPOUND [PDF]

Química Nova
Sodium chloride, NaCl, was analyzed using two models based in classical physics with the main objective of verifying whether this ionic crystal is active or not to infrared absorption. The results from the first reduced mass linear diatomic model (RMLDM)
Jorge Corrêa de Araújo, Rosa María García Márquez   +1 more
doaj   +1 more source

Femtosecond Photodissociation of Molecules Facilitated by Noise

, 2007
We investigate the dynamics of diatomic molecules subjected to both a femtosecond mid-infrared laser pulse and Gaussian white noise. The stochastic Schr\"odinger equation with a Morse potential is used to describe the molecular vibrations under noise and
Anatole Kenfack, C. Gardiner, Jan M. Rost, Kamal P. Singh   +3 more
core   +1 more source