Water models: Difference between revisions
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*[[ | The following is an incomplete list of [[models]] used in [[Computer simulation techniques | computer simulations]] of [[water]]: | ||
*[[ | |||
== | {{columns-list|3| | ||
[[ | ==A== | ||
*[[AMOEBA]] | |||
*[[ASP-S]] | |||
*[[ASP-W]] | |||
==B== | |||
*[[Baranyai water model | Baranyai]] | |||
*[[BBL model of water | BBL]] | |||
*[[Bell-Lavis model of water | Bell-Lavis]] | |||
*[[Ben-Naim models of water |Ben-Naim models ]] | |||
*[[BF]] | |||
*[[BJH]] | |||
*[[BK water models | BK3]] | |||
*[[BK water models | BKd1]] | |||
*[[BK water models | BKd2]] | |||
*[[BK water models | BKd3]] | |||
*[[Ben-Naim models of water#BNS model | BNS]] | |||
*[[Bol model of water | Bol]] | |||
*[[BSV]] | |||
==C== | |||
*[[CC-pol]] | |||
*[[CF]] | |||
*[[CI]] | |||
*[[COS model of water|COS]] | |||
*[[COS model of water|COS/B2]] | |||
*[[COS model of water|COS/D2]] | |||
*[[COS model of water|COS/G2]] | |||
*[[COS model of water|COS/G3]] | |||
*[[CMP]] | |||
*[[CKL]] | |||
==D== | |||
*[[Dahl and Andersen model of water|Dahl and Andersen]] | |||
*[[Dang97]] | |||
*[[DCF]] | |||
*[[DEC]] | |||
*[[DPP]] | |||
*[[DPP#DPP2|DPP2]] | |||
==E== | |||
*[[E3B water model | E3B]] | |||
*[[E3B water model#E3B2 | E3B2]] | |||
*[[E3B water model#E3B3 | E3B3]] | |||
*[[ELBA water model|ELBA]] | |||
*[[ENCS]] | |||
*[[EPEN/2]] | |||
==F== | |||
*[[F3C]] | |||
==G== | |||
*[[Gaussian model of water | Gaussian model]] | |||
*[[GCPM]] | |||
==H== | |||
*[[HBB]] | |||
*[[HBB2-pol model of water|HBB2-pol]] | |||
==K== | |||
*[[KJ]] | |||
*[[KKY]] | |||
==M== | |||
*[[MB-pol]] | |||
*[[MCDHO]] | |||
*[[MCHO]] | |||
*[[MCY]] | |||
*[[MCYL]] | |||
*[[Ben-Naim models of water#Mercedes-Benz model |Mercedes-Benz model]] | |||
*[[mW model of water| mW]] | |||
==N== | |||
*[[NCC]] | |||
*[[NCCvib]] | |||
*[[NCF]] | |||
*[[NEMO]] | |||
*[[NSPCE]] | |||
*[[NvdE]] | |||
==O== | |||
*[[OPC3 model of water | OPC3]] | |||
==P== | |||
*[[PE]] | |||
*[[PMW]] | |||
*[[POL3]] | |||
*[[POL4D model of water | POL4D]] | |||
*[[POL5]] | |||
*[[POLIR]] | |||
*[[PPC]] | |||
*[[PTIP4P]] | |||
*[[PSRWK]] | |||
*[[PW]] | |||
==Q== | |||
*[[QCT]] | |||
*[[SPC/Fw | q-SPC/Fw]] | |||
*[[q-TIP4P/F]] | |||
==R== | |||
*[[R]] | |||
*[[refPOL model of water | refPOL]] | |||
*[[RPOL]] | |||
*[[RSL2]] | |||
*[[RWFF model of water | RWFF]] | |||
*[[RWK]] | |||
==S== | |||
*[[SAPT-5s]] | |||
*[[SAPT-pp]] | |||
*[[SCPDP]] | |||
*[[SDFT-5s]] | |||
'''S'''imple '''P'''oint '''C'''harge models | |||
*[[SPC]] | |||
*[[SPC/ε water model | SPC/ε]] | |||
*[[SPC/A]] | |||
*[[SPC/E]] | |||
*[[SPC/F]] | |||
*[[SPC/F2]] | |||
*[[SPC/FP]] | |||
*[[SPC/FQ]] | |||
*[[SPC/Fw]] | |||
*[[SPC/HW]] | |||
*[[SPC/L]] | |||
*[[SPCP]] | |||
*[[SPC-pol]] | |||
*[[SSD]] | |||
*[[ST2]] | |||
*[[ST2RF]] | |||
*[[SWFLEX]] | |||
*[[SWM4-DP]] | |||
*[[SWM4-DP model of water#SWM4-NDP| SWM4-NDP]] | |||
*[[SWM4-DP model of water#SWM6 |SWM6]] | |||
==T== | |||
*[[TCPE]] | |||
'''T'''ransferable '''I'''ntermolecular '''P'''otential models | |||
*[[TIP3P]] | |||
*[[TIP3P/Fs model of water | TIP3P/Fs]] | |||
*[[TIP4F]] | |||
*[[TIP4P]] | |||
*[[TIP4P/2005]] | |||
*[[TIP4P/2005f water model | TIP4P/2005f]] | |||
*[[TIP4P/ε water model | TIP4P/ε]] | |||
*[[TIP4P-Ew]] | |||
*[[TIP4P/FQ]] | |||
*[[TIP4P-HB]] | |||
*[[TIP4P-I]] | |||
*[[TIP4P/Ice]] | |||
*[[TIP4P-pol]] | |||
*[[TIP4PQ/2005]] | |||
*[[TIP4PQ_D2O model of water | TIP4PQ_D2O]] | |||
*[[TIP4PQ_T2O model of water | TIP4PQ_T2O]] | |||
*[[TIP4P-QDP]] | |||
*[[TIP4P-QDP |TIP4P-QDP-LJ]] | |||
*[[TIP4Q model of water | TIP4Q]] | |||
*[[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/C1CP22168J Carlos Vega and Jose L. F. Abascal "Simulating water with rigid non-polarizable models: a general perspective", Phys. Chem. Chem. Phys. '''13''' pp. 19663-19688 (2011)] | |||
*[http://www.lsbu.ac.uk/water/models.html Water Models, from Martin Chaplin's Water Structure and Science] | |||
[[Category:Water]] | |||
[[Category: Models]] | |||
__NOTOC__ | |||
Latest revision as of 10:43, 13 February 2017
The following is an incomplete list of models used in computer simulations of water:
A
B
C
D
E
F
G
H
K
M
N
O
P
Q
R
S
Simple Point Charge models
- SPC
- SPC/ε
- SPC/A
- SPC/E
- SPC/F
- SPC/F2
- SPC/FP
- SPC/FQ
- SPC/Fw
- SPC/HW
- SPC/L
- SPCP
- SPC-pol
- SSD
- ST2
- ST2RF
- SWFLEX
- SWM4-DP
- SWM4-NDP
- SWM6
T
Transferable Intermolecular Potential models
- TIP3P
- TIP3P/Fs
- TIP4F
- TIP4P
- TIP4P/2005
- TIP4P/2005f
- TIP4P/ε
- TIP4P-Ew
- TIP4P/FQ
- TIP4P-HB
- TIP4P-I
- TIP4P/Ice
- TIP4P-pol
- TIP4PQ/2005
- TIP4PQ_D2O
- TIP4PQ_T2O
- TIP4P-QDP
- TIP4P-QDP-LJ
- TIP4Q
- TIP5P
- TIP5P-E
- TIPS
- TIPS2
- TTM2-F
- TTM2-R
- TTM2.1
- TTM2.1-F
- TTM3-F
V
W
Recommended reading[edit]
- 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)
- Carlos Vega and Jose L. F. Abascal "Simulating water with rigid non-polarizable models: a general perspective", Phys. Chem. Chem. Phys. 13 pp. 19663-19688 (2011)
- Water Models, from Martin Chaplin's Water Structure and Science