Foundations of Molecular Modeling and Simulation: Select Papers from Fomms 2018
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Strain Controlling Catalytic Efficiency of Water Oxidation for Ni1-xFexOOH alloy.- The Role of Entropy in the Structural Transitions in Zeolitic Imidazolate Frameworks.- Coarse-grained modeling and simulations of thermoresponsive biopolymers and polymer nanocomposites with specific and directional interactions.- Dissipative Particle Dynamics Approaches to Modeling the Self-Assembly and Morphology of Neutral and Ionic Block Copolymers in Solution.- The Statistical Mechanics of Solution-phase Nucleation: CaCO3 Revisited.- Efficient Sampling of High-Dimensional Free Energy Landscapes: A Review of Parallel Bias Metadynamics.
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