Water models: Difference between revisions
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(Merged the pages List of empirical water models and List of ab initio water models onto this page.) |
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*[[ | The following is an incomplete list of models used to study [[water]]: | ||
*[[ | |||
== | {{columns-list|3| | ||
[[ | ==A== | ||
*[[ASP-S]] | |||
*[[ASP-W]] | |||
==B== | |||
*[[Bell-Lavis model of water | Bell-Lavis]] | |||
*[[BF]] | |||
*[[BJH]] | |||
*[[Ben-Naim models of water |Ben-Naim models ]] | |||
==C== | |||
*[[CC-pol]] | |||
*[[CF]] | |||
*[[CI]] | |||
*[[CKL]] | |||
==D== | |||
*[[Dang97]] | |||
*[[DCF]] | |||
*[[DEC]] | |||
==E== | |||
*[[ENCS]] | |||
*[[EPEN/2]] | |||
==F== | |||
*[[F3C]] | |||
==K== | |||
*[[KJ]] | |||
*[[KKY]] | |||
==M== | |||
*[[MCDHO]] | |||
*[[MCHO]] | |||
*[[MCY]] | |||
*[[MCYL]] | |||
*[[Ben-Naim models of water |Mercedes-Benz]] | |||
==N== | |||
*[[NCC]] | |||
*[[NCCvib]] | |||
*[[NCF]] | |||
*[[NEMO]] | |||
*[[NSPCE]] | |||
*[[NvdE]] | |||
==P== | |||
*[[PE]] | |||
*[[POL3]] | |||
*[[POL5]] | |||
*[[POLIR]] | |||
*[[PPC]] | |||
*[[PTIP4P]] | |||
*[[PSRWK]] | |||
==R== | |||
*[[R]] | |||
*[[RPOL]] | |||
*[[RSL2]] | |||
*[[RWK]] | |||
==S== | |||
*[[SAPT-5s]] | |||
*[[SAPT-pp]] | |||
*[[SCPDP]] | |||
*[[SDFT-5s]] | |||
'''S'''imple '''P'''oint '''C'''harge models | |||
*[[SPC]] | |||
*[[SPC/E]] | |||
*[[SPC/F]] | |||
*[[SPC/F2]] | |||
*[[SPC/FP]] | |||
*[[SPC/FQ]] | |||
*[[SPC/Fw]] | |||
*[[SPC/HW]] | |||
*[[SPCP]] | |||
*[[SPC-pol]] | |||
*[[ST2]] | |||
*[[ST2RF]] | |||
*[[SWFLEX]] | |||
==T== | |||
'''T'''ransferable '''I'''ntermolecular '''P'''otential models | |||
*[[TIP3P]] | |||
*[[TIP4F]] | |||
*[[TIP4P]] | |||
*[[TIP4P/2005]] | |||
*[[TIP4P/Ew]] | |||
*[[TIP4P/FQ]] | |||
*[[TIP4P-HB]] | |||
*[[TIP4P/Ice]] | |||
*[[TIP4P-pol]] | |||
*[[TIP5P]] | |||
*[[TIP5P-E]] | |||
*[[TIPS]] | |||
*[[TIPS2]] | |||
*[[TTM2-F]] | |||
*[[TTM2-R]] | |||
*[[TTM2.1]] | |||
*[[TTM2.1-F]] | |||
*[[TTM3-F]] | |||
==V== | |||
*[[VRT(MCY-5f)]] | |||
*[[VRT(ASP-W)III]] | |||
==W== | |||
*[[WK]] | |||
}} | |||
==Recommended reading== | |||
*[http://dx.doi.org/10.1016/S0167-7322(02)00094-6 Bertrand Guillot "A reappraisal of what we have learnt during three decades of computer simulations on water", Journal of Molecular Liquids, '''101''' pp. 219-260 (2002)] | |||
*[http://dx.doi.org/10.1039/b805531a C. Vega, J. L. F. Abascal, M. M. Conde and J. L. Aragones "What ice can teach us about water interactions: a critical comparison of the performance of different water models", Faraday Discussions '''141''' pp. 251-276 (2009)] | |||
*[http://www.lsbu.ac.uk/water/models.html Water Models, from Martin Chaplin's Water Structure and Science] | |||
[[Category:Water]] | |||
[[Category: Models]] | |||
__NOTOC__ | |||
Revision as of 11:50, 12 June 2009
The following is an incomplete list of models used to study water:
A
B
C
D
E
F
K
M
N
P
R
S
Simple Point Charge models
T
Transferable Intermolecular Potential models
- TIP3P
- TIP4F
- TIP4P
- TIP4P/2005
- TIP4P/Ew
- TIP4P/FQ
- TIP4P-HB
- TIP4P/Ice
- TIP4P-pol
- TIP5P
- TIP5P-E
- TIPS
- TIPS2
- TTM2-F
- TTM2-R
- TTM2.1
- TTM2.1-F
- TTM3-F
V
W
Recommended reading
- Bertrand Guillot "A reappraisal of what we have learnt during three decades of computer simulations on water", Journal of Molecular Liquids, 101 pp. 219-260 (2002)
- C. Vega, J. L. F. Abascal, M. M. Conde and J. L. Aragones "What ice can teach us about water interactions: a critical comparison of the performance of different water models", Faraday Discussions 141 pp. 251-276 (2009)
- Water Models, from Martin Chaplin's Water Structure and Science