Water models: Difference between revisions

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*[[Empirical water models]]
The following is an incomplete list of [[models]] used in [[Computer simulation techniques | computer simulations]] of  [[water]]:
*[[ab initio water models]]
 
{{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

T

Transferable Intermolecular Potential models

V

W

Recommended reading[edit]

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