Ab Initio Molecular Dynamics
by DominikMarx, Juerg Hutter
Publisher: John von Neumann Institute 2000
Number of pages: 150
Description:
The aim of molecular dynamics is to model the detailed microscopic dynamical behavior of many different types of systems as found in chemistry, physics or biology. Molecular dynamics is a technique to investigate equilibrium and transport properties of many–body systems.
Download or read it online for free here:
Download link
(1.4 MB, PDF)
Similar books
Molecular Dynamics Simulationby Giovanni Ciccotti, Mauro Ferrario, Christof Schuette - MDPI AG
This book moves from the quantum-statistical description to the validity of classical modeling; it presents some perspectives in the algorithmic and in the enhanced sampling approaches, tackling some longstanding challenges to simulation ...
(3364 views)
The Thermodynamics of Lightby Per Kristen Jakobsen - arXiv.org
These notes introduce some of the basic mathematical and physical tools necessary for theoretical investigations into the thermodynamics properties of light in cavities. It will also be useful for the research teams entering this field of science.
(2421 views)
Optical Atomic Clocksby N. Poli, C. W. Oates, P. Gill, G. M. Tino - arXiv
This paper reviews the history and the state of the art in optical-clock research and addresses the implementation of optical clocks in a possible future redefinition of the SI second as well as in tests of fundamental physics.
(6276 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.
(8924 views)