Showing 21–40 of 51 results
/ Date/ Name
Jan 29, 2020Machine Learning in Thermodynamics: Prediction of Activity Coefficients by Matrix CompletionSep 1, 2022Making Thermodynamic Models of Mixtures Predictive by Machine Learning: Matrix Completion of Pair InteractionsAug 1, 2017Comparison of predictions of the PC-SAFT equation of state and molecular simulations for the metastable region of binary mixturesNov 23, 2016Simultaneous description of bulk and interfacial properties of fluids by the Mie potentialApr 6, 2009Modification of the classical nucleation theory based on molecular simulation data for surface tension, critical nucleus size, and nucleation rateOct 8, 2024Hierarchical Matrix Completion for the Prediction of Properties of Binary MixturesJan 15, 2010Contact angle dependence on the fluid-wall dispersive energyJul 25, 2015Long range correction for multi-site Lennard-Jones models and planar interfacesApr 6, 2009Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamicsMar 3, 2026Hybrid Machine Learning for Enhanced Prediction of Diffusion Coefficients in LiquidsSep 26, 2024Entropy Scaling for Diffusion Coefficients in Fluid MixturesApr 21, 2009A set of molecular models based on quantum mechanical ab initio calculations and thermodynamic dataJan 12, 2010The air pressure effect on the homogeneous nucleation of carbon dioxide by molecular simulationMar 10, 2023Deep Anomaly Detection on Tennessee Eastman Process DataMay 11, 2011The excess equimolar radius of liquid dropsJul 24, 2024KnowTD-An Actionable Knowledge Representation System for ThermodynamicsJul 25, 2015Contact angle of sessile drops in Lennard-Jones systemsAug 20, 2014ls1 mardyn: The massively parallel molecular dynamics code for large systemsOct 13, 2025DiffStyleTS: Diffusion Model for Style Transfer in Time SeriesNov 24, 2025CHAOS -- A Consistent Large-scale Database for Sigma-Profiles and Other Molecular Descriptors