Uncertainty quantification and propagation of errors of the Lennard-Jones 12-6 parameters for n-alkanes.

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Uncertainty quantification and propagation of errors of the Lennard-Jones 12-6 parameters for n-alkanes.

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2017 nî lūn-bûn

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Uncertainty quantification and ...... 12-6 parameters for n-alkanes.

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Uncertainty quantification and ...... 12-6 parameters for n-alkanes.

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Uncertainty quantification and ...... 12-6 parameters for n-alkanes.

@en

Uncertainty quantification and ...... 12-6 parameters for n-alkanes.

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Uncertainty quantification and ...... 12-6 parameters for n-alkanes.

@en

Uncertainty quantification and ...... 12-6 parameters for n-alkanes.

@nl

P1476

Uncertainty quantification and ...... 12-6 parameters for n-alkanes.

@en

P2093

Thomas A Knotts

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P2860

Optimized Mie potentials for phase equilibria: Application to noble gases and their mixtures with n-alkanes.

Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations.

Mie potentials for phase equilibria calculations: application to alkanes and perfluoroalkanes.

Determining force field parameters using a physically based equation of state.

Statistical approaches to forcefield calibration and prediction uncertainty in molecular simulation.

Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions.

An improved statistical analysis for predicting the critical temperature and critical density with Gibbs ensemble Monte Carlo simulation.

Parametric sensitivity analysis for stochastic molecular systems using information theoretic metrics.

Bayesian uncertainty quantification and propagation in molecular dynamics simulations: a high performance computing framework.

Comparison of united-atom potentials for the simulation of vapor-liquid equilibria and interfacial properties of long-chain n-alkanes up to n-C100.

P304

194110

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P31

scholarly article

P356

10.1063/1.4983406

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P407

English

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P478

146

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P50

Richard A Messerly

W Vincent Wilding

P577

2017-05-01T00:00:00Z

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P698

28527455

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P921

Lennard-Jones potential

P932

5438279

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