Results 11 to 20 of about 4,242,074 (300)
Free Energy Calculations: An Efficient Adaptive Biasing Potential Method [PDF]
The Journal of Physical Chemistry B, 2010 We develop an efficient sampling and free energy calculation technique within the adaptive biasing potential (ABP) framework. By mollifying the density of states we obtain an approximate free energy and an adaptive bias potential that is computed directly from the population along the coordinates of the free energy.
Dickson, Bradley M. +4 more
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Physics Open, 2023 This paper presents a detailed study on the performance of the new modified Morse potential in representing the vibrational motion of several diatomic molecules.
S.U. Lotliker +4 more
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Applied Sciences, 2020 Many researchers have developed analytical methods to evaluate gear meshing stiffness. Some of these methods ignored the effect of the gear body while others used a simplified model to consider its effect. Until now, a detailed investigation of gear body-
Hongsheng Zhang +4 more
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Energy Reports, 2021 An integrated energy system that uses various networks to transfer electrical power, natural gas, heating, and cooling energy has been applied widely in recent decades.
Dongwen Chen +4 more
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Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer [PDF]
, 2020 We describe a method for computing near-exact energies for correlated systems with large Hilbert spaces. The method efficiently identifies the most important basis states (Slater determinants) and performs a variational calculation in the subspace ...
Holmes, Adam A. +6 more
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Formation of Stiffness Matrices of Plane Elements Based on High-Order Degree Polynomials
Journal of Architectural and Engineering Research, 2021 In this paper, the method for forming the stiffness matrix of a plane element in a plane stress-strain state using functions approximating the displacements of the points of the element in the form of high-order degree polynomials is considered.
Valeriy Peter Bondarenko
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Morse potential energy spectra through the variational method and supersymmetry [PDF]
, 1999 The Variational Method is applied within the context of Supersymmetric Quantum Mechanics to provide information about the energy and eigenfunction of the lowest levels of a Hamiltonian.
Bag +18 more
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Bi-First: A simple and efficient algorithm to identify dissipated energy in impact problems [PDF]
International Journal for Simulation and Multidisciplinary Design Optimization, 2007 The bi-potential method has been successfully applied for the modelling of frictional contact problems in static cases. This paper presents the extension of this method for dynamic analysis of impact problems with multiple deformable bodies.
Feng Z.-Q. +3 more
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Journal of Advanced Mechanical Design, Systems, and Manufacturing, 2018 In this paper, a potential energy based slice grouping method was proposed to calculate the mesh stiffness for straight beveloid gears with parallel axes. The mathematical mesh stiffness model was derived.
Chaosheng SONG +5 more
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A GIS-Based Multidimensional Evaluation Method for Solar Energy Potential in Shanxi Province, China
Energies, 2023 Solar energy is considered one of the most hopeful alternative sources to avoiding dependence on fossil fuels, and it does not cause any air pollution. GIS-based solar energy potential evaluation is mainly focused on regional scale; further, more solar ...
Liang Cui +3 more
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