Foundations of Molecular Modeling and Simulation: Select Papers from Fomms 2018 (Hardcover, 2021)

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.