TY  - BOOK
AU  - Frenkel, Daan.
AU  - ; Smit, Berend.
AU  - Daan Frenkel 
TI  - Understanding molecular simulation : : from algorithms to applications
SN  - 9780122673511
U1  - 539.6 FRE 
PY  - 2002///
CY  - , San Diego
PB  - : Academic Press
KW  - Moleculaire dynamica
KW  - Monte Carlo-methode
KW  -  Fase-evenwichten
KW  - Statistische mechanica
KW  - Molecules Mathematical models
N1  - 
Statistical mechanics
Monte Carlo simulations
Molecular dynamics simulations
Monte Carlo simulations in various ensembles
Molecular dynamics in various ensembles
Free energy calculations
The Gibbs ensemble
Other methods to study coexistence
Free energies of solids
Free energy of chain molecules
Long-range interactions
Biased Monte Carlo schemes
Accelerating Monte Carlo sampling
Tackling time-scale problems
Rare events
Dissipative particle dynamics
N2  - Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program.
ER  -