Solved Problems in Physics, Physical Chemistry, and Computer Simulation Projects for College and Graduate Students.

Collection: Molecular Simulation

Molecular Simulation Projects in Fortran 90 and Octave/Matlab.
6 products
  • Widom Test Particle Method for Calculating Chemical Potential Energy of the Lennard-Jones Fluid in Canonical Ensemble
    Widom Test Particle Method for Calculating Chemical Potential Energy of the Lennard-Jones Fluid in Canonical Ensemble
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  • Monte Carlo Simulation of Hard Sphere Fluid in Isothermal-Isobaric (N,P,T) Ensemble
    Compressibility for N=256 hard spheres in isothermal-isobaric ensemble (N,P,T). The compressibility factor found from simulation is compared with the compressibility factor found from Carnahan-Starling equation of state.
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  • Molecular Dynamics Simulation of Lennard-Jones Fluid
    Virial part of compressibility vs. reduced number density of Lennard-Jones fluid.
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  • Grand Canonical Monte Carlo Simulation of Lennard-Jones Fluid
    Excess internal energy of pure monatomic LJ fluid calculated from simulation at T*= 2 and V*= 500. The values obtained using the Nicholas and Johnson EoS are also shown for comparison.
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  • Grand Canonical Monte Carlo Simulation of Hard Spheres
    Excess chemical potential of pure monatomic hard-sphere fluid obtained from simu- lation and the Carnahan-Starling equation of state.
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  • Radial Distribution Function and Compressibility of Hard Spheres
    Compressibility Factor of Hard Spheres
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