First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics tools for Describing complicated Chemical strategies, via A. Jaramillo-Botero, R. Nielsen, R. Abrol, J. Su, T. Pascal, J. Mueller and W. A. Goddard.-
Dynamic QM/MM: A Hybrid method of Simulating Gas–Liquid Interactions, by way of S. Yockel and G. C. Schatz.-
Multiscale Modelling in Computational Heterogeneous Catalysis, by means of F. J. Keil.-
Real-World Predictions from Ab Initio Molecular Dynamics Simulations, through B. Kirchner, P. J. di Dio and J. Hutter.-
Nanoscale Wetting lower than electrical box from Molecular Simulations, by way of C. D. Daub, D. Bratko and A. Luzar.-
Molecular Simulations of Retention in Chromatographic platforms: Use of Biased Monte Carlo innovations to entry a number of Time and size Scales, via J. L. Rafferty, J. I. Siepmann, M. R. Schure.-
Thermodynamic houses for purposes in Chemical through Classical strength Fields, by means of G. Guevara-Carrion, H. Hasse and J. Vrabec.-
Multiscale ways and views to Modeling Aqueous Electrolytes and Polyelectrolytes, through L. Delle web site, C. Holm and N. F. A. van der Vegt.-
Coarse-Grained Modeling for Macromolecular Chemistry, by means of H. A. Karimi-Varzaneh and F. Müller-Plathe.-