This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields uti...Loe edasi...
This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields uti...Loe edasi...
Molecular Dynamic Simulation for Engineering and Materials explains the fundamentals of MD simulation and explores recent developments in advanced modeling approaches based on the MD method. The improvements in efficiency and accuracy deliv...Loe edasi...
Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying deformation mechanisms at the atomic scale. The purpose of this book is to detect and...Loe edasi...
(Ilmumisaeg: 25-Jun-2015, Hardback, Kirjastus: Springer International Publishing AG, ISBN-13: 9783319187464)
This thesis examines various aspects of excess excitation energy dissipation via dynamic changes in molecular structure, vibrational modes and solvation. The computational work is carefully described and the results are compared to experimental da...Loe edasi...
Editor Fuxreiter presents students, academics, and researchers with a collection of academic papers focused on modern biomolecular computational techniques that can be focused on addressing protein flexibility and dynamics. The fourteen contributions...Loe edasi...
This book provides an in-depth overview of all of the coarse-grained schemes developed for condensed phase and biomolecular systems. Each chapter focuses on specific examples of coarse-graining methodologies and presents results for a variety of comp...Loe edasi...
