Understanding molecular simulation: from algorithms to applications
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-ranfe interactions - Biased Monte Carlo schemes - Accelerating Monte Carlo sampling - Tackling time-scale problems - Rare events - Dissipative particle dynamics - Appendices :Lag…
Read More ↓Title Statements
- Full title :Understanding molecular simulation : from algorithms to applications / Daan Frenkel, Berend Smit.
Summary
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-ranfe interactions - Biased Monte Carlo schemes - Accelerating Monte Carlo sampling - Tackling time-scale problems - Rare events - Dissipative particle dynamics - Appendices :Lagrangian and hamiltonian - Non-hamiltonian dynamics - Linear response theory - Statistical errors - Integration schemes - Saving CPU time - Reference states - Statistical mechanics of the gibbs ensemble.
Read More ↓Edition Statements
- Publication Date:©2002.
- Edition:2nd ed
Publication Statements
- Publisher(s):Academic Press
- Place of Publication:San Diego
- Language:eng
- Publication Date:©2002.
The Physical Object
- Description:xxii, 638 p. : : il. ; : 23 cm.
Edition Identifiers
- ISBN:0122673514, 9780122673511
- oclc:ocn318276635
- Dewey Decimal:539.60113
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