A “fast growth” method of computing free energy differences
✍ Scribed by Hendrix, D. A.; Jarzynski, C.
- Book ID
- 118022307
- Publisher
- American Institute of Physics
- Year
- 2001
- Tongue
- English
- Weight
- 315 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0021-9606
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
We propose a new method to compute the free energy or enthalpy of fluids or disordered solids by computer simulation . The main idea is to construct a reference system by freezing one representative configuration, and then carry out a thermodynamic integration. We present a strategy and an algorithm
Free cncrpy dUi'ercnccs for \VLLIC~ tit dU%rent tctnprrlrtutca Ittivr! ban cdrulnted i'tonr Mtintc Cat10 conrpulcr ahnQln. tlans um bdtlr tntlo ov~rlep ana untbrelle annip!& tnetlrtulu. IIlr! pmblcnts al'~~lculn11~ preclsc valuca I'mn the tncthbdn arc dtscus5cd. The nlodcla r0r wntcr (ST2, 'PIPS2 nn