27 results on '"Kofke, David A."'
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2. Alternative ensemble averages in molecular dynamics simulation of hard spheres
3. Force-sampling methods for density distributions as instances of mapped averaging
4. Free energy and concentration of crystalline vacancies by molecular simulation
5. Evaluation of second and third dielectric virial coefficients for non-polarisable molecular models
6. Quantum virial coefficients of molecular nitrogen
7. The rate of convergence of the virial series in confined systems
8. Mayer Sampling Monte Carlo calculation of virial coefficients on graphics processors
9. Virial coefficients, equation of state, and solid–fluid coexistence for the soft sphere model
10. Mayer-sampling Monte Carlo calculations of methanol virial coefficients
11. Sixth, seventh and eighth virial coefficients of the Lennard-Jones model
12. Interpolation of virial coefficients
13. Molecular Simulation Study of the Vapor–Liquid Interfacial Behavior of a Dimer-forming Associating Fluid
14. Getting the most from molecular simulation
15. Monte Carlo and cell model calculations for the solid—fluid phase behaviour of the triangle-well model
16. Quantitative comparison and optimization of methods for evaluating the chemical potential by molecular simulation
17. Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations
18. Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations
19. Evidence for harmonic behaviour in hard particle smectic A phases
20. Molecular simulation in a pseudo grand canonical ensemble
21. Thermodynamic and structural properties of model systems at solid-fluid coexistence
22. Thermodynamic and structural properties of model systems at solid-fluid coexistence
23. Implementation of the Gibbs ensemble using a thermodynamic model for one of the coexisting phases
24. Gibbs-Duhem integration: a new method for direct evaluation of phase coexistence by molecular simulation
25. Solid-Fluid Coexistence in Binary Hard Sphere Mixtures by Semigrand Monte Carlo Simulation
26. Monte Carlo simulation of multicomponent equilibria in a semigrand canonical ensemble
27. An efficient algorithm for the computation of pair correlation functions for hard spheres in the Percus-Yevick theory
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