{"product_id":"multiscale-simulation-methods-for-nanomaterials-9780470105283","title":"Multiscale Simulation Methods for Nanomaterials","description":"\u003cb\u003eBook Synopsis\u003c\/b\u003e\u003cbr\u003eThis book stems from the American Chemical Society symposium,  Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap,  that delved into the latest methodologies and applications for largescale, multiscale, and mesoscale modeling and simulation.\u003cbr\u003e\u003cbr\u003e\u003cb\u003eTable of Contents\u003c\/b\u003e\u003cbr\u003e1. Overview of Multi-Scale Simulation Methods for Materials (Sanat S. Mohanty and Richard B. Ross).  \u003cp\u003e2. Influence of Water and Fatty Acid Molecules on Quantum Photoinduced Electron Tunneling in Self-Assembled Photosynthetic Centers of Minimal Protocells (A. Tamulis, V. Tamulis, H. Ziock, and S. Rasmussen).\u003c\/p\u003e \u003cp\u003e3. Optimizing the Electronic Properties of Carbon Nanotubes using Amphoteric Doping (Bob G. Sumpter and Vincent Meunier).\u003c\/p\u003e \u003cp\u003e4. Using Order and Nanoconfinement to Tailor Semiconducting Polymers - A Combined Experimental and Multiscale Computational Study (Michael L. Drummond, Bob G. Sumpter, Michael D. Barnes, William A. Shelton, Jr., and Robert J. Harrison).\u003c\/p\u003e \u003cp\u003e5. Coarse Grain to Atomistic Mapping Algorithm: A Tool for Multiscale Simulations (Steven O. Nielsen, Bernd Ensing, Preston B. Moore, and Michael L. Klein).\u003c\/p\u003e \u003cp\u003e6. Microscopic Insights into the Dynamics of Protein-Solvent Mixtures (Taner E. Dirama and Gustavo A. Carri).\u003c\/p\u003e \u003cp\u003e7. Mesoscale Simulations of Surface Modified Nanospheres in Solvents (Sanat Mohanty).\u003c\/p\u003e \u003cp\u003e8. Fixing Interatomic Potentials Using Multiscale Modeling: ad hoc Schemes for Coupling Atomic and Continuum Simulations (Clifford W. Padgett, J. David Schall, J. Wesley Crill, and Donald W. Brenner).\u003c\/p\u003e \u003cp\u003e9. Fully Analytic Implementation of Density Functional Theory for Efficient Calculations on Large Molecules (Rajendra R. Zope and Brett I. Dunlap).\u003c\/p\u003e \u003cp\u003e10. Al Nanoparticles: Accurate Potential Energy Functions and Physical Properties (Nathan E. Schultz, Ahren W. Jasper, Divesh Bhatt, J. Ilja Siepmann, and Donald G. Truhlar).\u003c\/p\u003e \u003cp\u003e11. Large-scale Monte Carlo Simulations for Aggregation, Self-Assembly and Phase Equilibria (Jake L. Rafferty, Ling Zhang, Nikolaj D. Zhuravlev, Kelly E. Anderson, Becky L. Eggimann, Matthew J. McGrath, and J. Ilja Siepmann).\u003c\/p\u003e \u003cp\u003e12. New QM\/MM Models for Multi-scale Simulation of Phosphoryl Transfer Reactions in Solution (Kwangho Nam, Jiali Gao, and Darrin M. York).\u003c\/p\u003e \u003cp\u003e13. Modeling the Thermal Decomposition of Large Molecules and Nanostructures (Marc R. Nyden, Stanislav I. Stoliarov, and Vadim D. Knyazev).\u003c\/p\u003e \u003cp\u003e14. Predicting Dynamic Mesoscale Structure of Commercially Relevant Surfactant Solutions (Fiona Case).\u003c\/p\u003e","brand":"John Wiley \u0026 Sons Inc","offers":[{"title":"Default Title","offer_id":49402286899543,"sku":"9780470105283","price":147.56,"currency_code":"GBP","in_stock":false}],"url":"https:\/\/bookcurl.com\/products\/multiscale-simulation-methods-for-nanomaterials-9780470105283","provider":"Book Curl","version":"1.0","type":"link"}