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Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: Development and implementation of the continuous fractional component move

https://doi.org/10.1002/jcc.20977

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Simu-D: A Simulator-Descriptor Suite for Polymer-Based Systems under Extreme Conditions

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Polymorphism and Perfection in Crystallization of Hard Sphere Polymers

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Diffusion in Liquids: Equilibrium Molecular Simulations and Predictive Engineering Models

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Implementação e testes de Métodos Monte Carlo para simulação de equilíbrio sólido-líquido

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