Multiscale simulation methods for nanomaterials Overview of multiscale simulation methods for materials Sanat Mohanty and Richard B. Ross Influence of water and fatty acid molecules on quantum photoinduced electron tunneling in self assembled photosynthetic centers of minimal protocells A. Tamulis ... [et al.] Optimizing the electronic properties of carbon nanotubes using amphoteric doping Bobby G. Sumpter and Vincent Meunier Using order and nanoconfinement to tailor semiconducting polymers: a combined experimental and multiscale computational study Michael L. Drummond ... [et al.] Coarse grained to atomistic mapping algorithm: a tool for multiscale simulations Steven O. Nielsen ... [et al.] Microscopic insights into the dynamics of protein solvent mixtures Taner E. Dirama and Gustavo A. Carri Mesoscale simulations of surface modified nanospheres in solvents Sanat Mohanty Fixing interatomic potentials using multiscale modeling: ad hoc schemes for coupling atomic and continuum simulations Clifford W. Padgett ... [et al.] Fully analytic implementation of density functional theory for efficient calculations on large molecules Rajendra R. Zope and Brett I. Dunlap Aluminum nanoparticles: accurate potential energy functions and physical properties Nathan E. Schultz ... [et al.] Large scale Monte Carlo simulations for aggregation self assembly and phase equilibria Jake L. Rafferty ... [et al.] New QM MM models for multiscale simulation of phosphoryl transfer reactions in solution Kwangho Nam Jiali Gao and Darrin M. York Modeling the thermal decomposition of large molecules and nanostructures Marc R. Nyden Stanislav I. Stoliarov and Vadim D. Knyazev Predicting dynamic mesoscale structure of commercially relevant surfactant solutions Fiona Case