Molecular Dynamics Simulation
by Giovanni Ciccotti, Mauro Ferrario, Christof Schuette
Publisher: MDPI AG 2014
ISBN/ASIN: 3906980650
ISBN-13: 9783906980652
Number of pages: 628
Description:
The contributions collected in this book move from the quantum-statistical description to the validity of classical modeling; they present some perspectives in the algorithmic and in the enhanced sampling approaches, tackling some longstanding challenges to simulation in the area of non-equilibrium, rare events, mesoscale and quantum-classical simulation.
Download or read it online for free here:
Download link
(24MB, PDF)
Similar books
Photons, Schmotonsby John Baez, Michael Weiss - University of California
What the heck is a photon, anyway? You need to understand Maxwell's equations and quantum mechanics, and to understand how they fit together. This text won't teach you quantum electrodynamics. But they'll give you a nudge in the right direction.
(7882 views)
Optical Interferometryby Alexander Banishev, Mithun Bhowmick, Jue Wang - InTech
This book covers various aspects of optical interferometry including descriptions of novel apparatuses and methods, application interferometry for studying biological objects, surface qualities, materials characterization, and optical testing.
(5946 views)
Molecular Physicsby Wim Ubachs - Vrije Universiteit Amsterdam
From the table of contents: Introduction; Energy levels in molecules -- the quantum structure; Transitions between quantum states; High vibrational levels in the WKB-approximation; Electronic states; Open Shell Molecules.
(11812 views)
Ab Initio Molecular Dynamicsby DominikMarx, Juerg Hutter - John von Neumann Institute
The aim of molecular dynamics is to model the detailed microscopic dynamical behavior of many different types of systems. Molecular dynamics is a technique to investigate equilibrium and transport properties of many–body systems.
(8379 views)