Uses for molecular mechanics?
Molecular mechanics finds diverse applications in various fields. It is utilized for determining frequencies, natural vibration shapes, critical parameters, and postcritical deformation shapes of carbon nanotubes, with methods like MM and MM/MSM . In the study of flotation reagents interacting with minerals, molecular mechanics plays a crucial role . The formalism of the finite element method in molecular mechanics allows for efficient analysis of atomic structures, with a direct correlation between interatomic potentials and finite elements established . Molecular simulation techniques, including molecular mechanics, are essential in materials science, physics, biophysics, and drug design, providing insights into potential energy calculations and system properties . Moreover, molecular mechanical potential functions are widely used in molecular modeling and simulation research, with a focus on nonbonding interaction terms and parallel algorithm development for efficient energy calculations .
Answers from top 5 papers
Papers (5) | Insight |
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28 Apr 1997 2 Citations | Molecular mechanics is utilized in molecular modeling and simulation research, particularly for calculating nonbonding interactions efficiently on parallel and distributed processors. |
01 Jan 2007 19 Citations | Molecular mechanics is utilized in materials science, physics, biophysics, chemistry, and drug design for simulating molecular systems at the atomic level, aiding in research and understanding atomic-scale phenomena. |
Molecular mechanics, utilizing finite element method, efficiently analyzes atomic structures by correlating interatomic potentials with specific finite elements, demonstrated in carbon nanotube mechanical behavior simulations. | |
15 Citations | Molecular mechanics is utilized in determining frequencies, natural vibrations, buckling parameters, and postcritical deformations of single-layer carbon nanotubes, as shown in the study on nanotube stability and vibrations. |
Open access•Journal Article 2 Citations | Molecular mechanics is utilized in studying flotation reagents interacting with minerals in mineral processing, as outlined in the paper. |