Computer modeling of matter : based on a symposium sponsored by the ACS Division of Computers in Chemistry at the 175th meeting of the American Chemical Society, Anaheim, California, March 14, 1978 /

Bibliographic Details
Corporate Authors:	American Chemical Society. Division of Computers in Chemistry, American Chemical Society. Meeting
Other Authors:	Lykos, Peter
Format:	eBook
Language:	English
Language Notes:	English.
Published:	Washington, D.C. : American Chemical Society, 1978.
Series:	ACS symposium series ; 86.
Subjects:	Molecular theory > Data processing > Congresses. Matter > Properties > Data processing > Congresses. Mathematical models. Models, Molecular Models, Theoretical Computers Molecular Dynamics Simulation Computer Simulation Ions > chemistry Water > chemistry Noble Gases > chemistry Lithium > chemistry Methane > chemistry Algorithms Surface Chemistry Electricity > chemistry Freezing Chemistry > instrumentation Polymers > chemistry Théorie moléculaire > Informatique > Congrès. Matière > Propriétés > Informatique > Congrès. Modèles mathématiques. Ordinateurs. Simulation par ordinateur. Algorithmes. mathematical models. computers. simulation. algorithms. SCIENCE > Chemistry > Clinical. Mathematical models Matter > Properties > Data processing Molecular theory > Data processing Datenverarbeitung Molekültheorie Theoretische Chemie Electronic books. Conference papers and proceedings
Online Access:	Connect to the full text of this electronic book

Table of Contents:

Molecular dynamics simulations of liquids with ionic interactions / K. Heinzinger, W.O. Riede, L. Schaefer, and Gy. I. Szász
Monte Carlo simulation of water / C.S. Pangali, M. Rao, and B.J. Berne
Determination of the mean force of two noble gas atoms dissolved in water / C.S. Pangali, M. Rao, and B.J. Berne
Applying the polarization model to the hydrated lithium cation / Carl W. David
Molecular dynamics simulation of methane using a singularity-free algorithm / S. Murad and K.E. Gubbins
Structure of a liquid-vapor interface / M. Rao and B.J. Berne
Computer simulation of the liquid-vapor surface of molecular fluids / S.M. Thompson and K.E. Gubbins
High field conductivity / Benson R. Sundheim
Computer simulation of collective modes in solids / M.L. Klein
Computer simulations of the melting and freezing of simple systems using an array processor / G. Chester, R. Gann, R. Gallagher, and A. Grimison
Simulating the dynamic and equilibrium properties of a multichain polymer system / David E. Kranbuehl and Bruce Schardt
Application of conformational energy calculations to defect properties in polymer crystals / Richard H. Boyd
Multiple time step methods and an improved potential function for molecular dynamics simulations of molecular liquids / W.B. Streett, D.J. Tildesley, and G. Saville
Optimization of sampling algorithms in Monte Carlo calculations on fluids / John C. Owicki
Molecular dynamics simulations of simple fluids with three-body interactions included / J.M. Haile
Monte Carlo studies of the structure of liquid water and dilute aqueous solutions / David L. Beveridge, Mihaly Mezei, S. Swaminathan, and S.W. Harrison
Computer modeling of quantum liquids and crystals / M.H. Kalos, P.A. Whitlock, and D.M. Ceperley
From microphysics to macrochemistry via discrete simulations / Jack S. Turner.