“Molecular Dynamics of Solutions” by Luken

  • ©William L. Luken


Conference:


SIGGRAPH Video Review:


Track:


    12

Title:


    Molecular Dynamics of Solutions

Length:


    2:02

Director(s):


Company / Institution / Agency:


  • IBM Corporation

Description:


    This material demonstrates the use of animated computer graphics to represent the results of molecular dynamics simulations of liquids and solutions. The first example presents a simulation of a 0.43 molar solution of lithium formate. The second example is based on a simulation of z-DNA in water. The molecular dynamics calculations employed 1851 water molecules surrounding one turn of z-DNA. The animated graphics show the z-DNA alone and with selected subsets of the water molecules.

Hardware:


    HARDWARE:
    IBM 308x, 3090 (ICAP Configuration); TARGA Frame Buffer

Software:


    SOFTWARE DEVELOPER: In-house molecular dynamics and ray tracing codes with parallel processing


Additional Contributors:


    PRODUCER: Enrico Clementi
    MODELERS: Swamy N. Kandadai, Kersti Hermannson, George Lie
    CONSULTANT: Robert E. Bacon
    NARRATION: Graham Hurst
    RESEARCH & DEVELOPMENT: Robert E. Bacon,Jason Warren


Additional Information:


    FORMAT:
    1″ NTSC video from3⁄4″ video

Animation / Video Overview:


Type: