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Coarse-Grained Model and Boiling Point Prediction for Asphaltene Model Compounds via HMC-WL Simulations
American Chemical Society | 2017| -
Many-Body Effects on the Thermodynamics of Fluids, Mixtures, and Nanoconfined Fluids
American Chemical Society | 2015| -
Effect of the Composition on the Free Energy of Crystal Nucleation for CuPd Nanoalloys
American Chemical Society | 2016| -
Benchmark Free Energies and Entropies for Saturated and Compressed Water
American Chemical Society | 2017| -
Role of Liquid Polymorphism during the Crystallization of Silicon
American Chemical Society | 2011| -
Entropy in Molecular Fluids: Interplay between Interaction Complexity and Criticality
American Chemical Society | 2020| -
Machine-Learned Free Energy Surfaces for Capillary Condensation and Evaporation in Mesopores
Free accessDOAJ | 2022| -
Molecular Simulation of the Nucleation and Growth of Gold Nanoparticles
American Chemical Society | 2009| -
Determination of mixture properties via a combined Expanded Wang-Landau simulations-Machine Learning approach
British Library Online Contents | 2019| -
Determination of mixture properties via a combined Expanded Wang-Landau simulations-Machine Learning approach
British Library Online Contents | 2019| -
Calculating free energy profiles using entropy as a reaction coordinate: Application to water nucleation
British Library Online Contents | 2018| -
Molecular Insight into the Pathway to Crystallization of Aluminum
American Chemical Society | 2007| -
Ginzburg-Landau free energy for molecular fluids: Determination and coarse-graining
British Library Online Contents | 2017| -
Selectivity and Desorption Free Energies for Methane–Ethane Mixtures in Covalent Organic Frameworks
American Chemical Society | 2017|
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