While the spatial distributions of atoms need to be reproduced correctly during rendering, we take the advantage of high flexibility in rendering other attributes because of the lack of their direct physical relevance. In particular, the radial distribution functions, coordination environments, clusters and rings are computed and visualized to understand the structural behavior whereas a variety of displacement data and covariance matrices are explored to understand the dynamical behavior. Additional data produced by various analytical techniques on the fly represent the atomic system under consideration at diverse length- (e.g., nearest neighbor, next-nearest neighbor or beyond) and time- (e.g., instantaneous, finite intervals or overall averages) scales. In order to take the advantage of maximal information offered by these simulations, we have proposed an efficient scheme, which integrates various analysis and rendering tasks together in order to support interactive visualization of the data at space–time multiresolution. All rights reserved.Time-varying three-dimensional scattered data representing snapshots of atomic configurations produced by molecular dynamics simulations are not illuminating by themselves gaining insight into them poses a tremendous challenge. IMPORTANT: You must include your IP address, otherwise we won't know which address to unblock! You can check your actual IP address (as seen by the outside world) using a free service such as Ĭopyright © 2021 CrystalMaker Software Ltd. Please contact us to request that we unblock your access. Have we made a mistake? If you believe we have mistakenly blocked your access, we apologise. You, or another user with the same IP address, has been detected posting spam, attempting to hack this site, or making a denial-of-service attempt. So please purchase the appropriate licence(s) from us, and delete any stolen software from your computer.
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