Computer visualization

V Kriete (ed) 1992 Visualization In Biomedical Microscopy, 3-d Imaging and Computer Visualization (Weinheim VCH) Wilson T (ed) 1996 Confocal Microscopy (New York Academic)... 

The visualization of volumetric properties is more important in other scientific disciplines (e.g., computer tomography in medicine, or convection streams in geology). However, there are also some applications in chemistry (Figure 2-125d), among which only the distribution of water density in molecular dynamics simulations will be mentioned here. Computer visualization of this property is usually realized with two or three dimensional textures [203]. 

Anderson, R., V. Hassani, A. Kirkpatrick, K. Knappmiller, and D. Hittle. 1991. Experimental and computational visualization of cold air ceiling jets. ASHRAE Journal, vol. 33, no. 5. 

A regularly formed crystal of reasonable size (typically >500 pm in each dimension) is required for X-ray diffraction. Samples of pure protein are screened against a matrix of buffers, additives, or precipitants for conditions under which they form crystals. This can require many thousands of trials and has benefited from increased automation over the past five years. Most large crystallographic laboratories now have robotics systems, and the most sophisticated also automate the visualization of the crystallization experiments, to monitor the appearance of crystalline material. Such developments [e.g., Ref. 1] are adding computer visualization and pattern recognition to the informatics requirements. 

Maas, U., Efficient calculation of intrinsic low-dimensional manifolds for the simplification of chemical kinetics, Comput. Visualization Sci. 1 (1998) 69-82. 

This mathematical model for the probability densities of various electron orbits allowed physicists to develop visualization tools. For example, in 1931, long before computer visualizations were possible, an article in Physics Review [Wh] featured a mechanical device (see Figure 7.3) designed to create images of the shapes of the electron orbitals (see Figure 7.4). There are many pictures of electron orbitals available on the internet. See for example [Co]. 

Program options for a calculation can be set up through a GUI, and after a calculation (such as described in the sections below) is complete, the results (output) may be examined visually on the computer screen (22). The quantum chemical and molecular simulations methods (see below) are computationally intense and generate large quantities of data. Computer visualization of the output helps make the data meaningful to chemists. Sometimes, it can be very helpful to the chemist to see the computed results displayed as numbers or properties in or around the molecular structure. 

The structures and dynamical behavior of larger clusters consisting of a few to a few dozen atoms or molecules is of great interest because the properties of such aggregates are intermediate between bulk and isolated-molecule behavior, and their study promises insight into the molecular nature of solvation and phase transitions. Le Roy s classical simulations of these systems have been combined with computer visualization techniques and quantum predictions of the spectral perturbation of a chromophore solute molecule in such clusters, to relate their microscopic dynamics to experimental observables. 

German, D.C., Manaye, K., Smith, W.K., Woodward, D.J., Saper, C.B. (1989). Midhrain dopaminergic cell loss in Parkinson s disease computer visualization. Ann. Neurol. 26 507-14. 

The dimensions of a computer-visualized cavity are readily accessible. From these dimensions a generalized shape may be quantitated and a prediction made as to which molecules should be considered as candidates for fitting the cavity. To transfer information from linear measurements of cavity dimensions to values of shape, some approximate relationship must be established between these two metrics. The most convenient approach is to recognize that a cavity is of irregular shape hence rectangular dimensions are nor universally appropriate. We can, however, take advantage of the fact that values for cycles are very similar to values of acyclic molecules that have similar shapes on a two-dimensional trace. The identical values for cyclohexane and 2,3-... 

Characterization of the binding region is aided by the following computer visualization and molecular modeling tools. 

Maas, U. (1998). Efficient Calculation of Intrinsic Low Dimensional Manifolds for Simplification of Chemical Kinetics, Comput. Visual Sci. Vol. 1, pp. 69-81. 

Manufac- turer Model Packed column Capillary column Detectors Sample injection point system Key- board control Link to computer Visual display Printer Core instrument amenable to tap automation Temp. programming/ isothermal Cryogenic unit (sub-ambient chromato- graphy)... 

Argyros, A., et al.. Electron tomography and computer visualization of a three-dimensional photonic crystal in a butterfly wing-scale. Micron, 2002,33(5), 483-487. 

The computer visualization of a model of porous carbon of Segarra and Glandt (1994), Figure 3.12(a, b), was obtained using a Conical Monte Carlo program to move the relative positions of the disks of this model until a thermodynamic (minimum energy) equilibrium was obtained. 

The Lewis project would have installed about 180 of the largest wind turbines in the world, in addition to over 200 pylons and conductors, all of which were illustrated in a computer visualization project during the period of public comment (Stephenson-Halliday, 2009). The 3.8 MW turbines would have a total height of 140 m (460 ft) with a rotor diameter of 107 m (358 ft). Each wind turbine would require a buried, reinforced-concrete foundation typically 22 x 22 m, up to 2 m thick (72 x 72 ft, 3-6 ft thick), with a 2 m (6 ft) high column in the middle for the tower. The wind turbines would be arranged in 9 groups. Each foundation would have adjacent a prepared area called the hardstanding for the installation cranes to use. 

Originally developed as a matrix laboratoiy to provide access to matrix software, MATLAB integrates mathematical computing, visualization, and a programming language for scientific and technical computing http //www.mathworks.com/... 

MATLAB is a high-performance language for technical computing. It integrates computation, visualization, and programming in an easy-to-use environment. It is assumed that the user has access to MATLAB. If not, MATLAB may be purchased from ... 

Gantner, A., Hoppe, R., Koster, D., Siebert, K., Wixforth, A., 2007. Numerical simulation of piezoelectricaUy agitated surface acoustic waves on microfluidic biochips. Comput. Visual Sci. 10, 145-161. 

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