Water models: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) m (Added internal link to the AMOEBA model.) |
Carl McBride (talk | contribs) m (Added an internal link) |
||
| (31 intermediate revisions by 3 users not shown) | |||
| Line 9: | Line 9: | ||
==B== | ==B== | ||
*[[Baranyai water model | Baranyai]] | *[[Baranyai water model | Baranyai]] | ||
*[[BBL model of water | BBL]] | |||
*[[Bell-Lavis model of water | Bell-Lavis]] | *[[Bell-Lavis model of water | Bell-Lavis]] | ||
*[[Ben-Naim models of water |Ben-Naim models ]] | *[[Ben-Naim models of water |Ben-Naim models ]] | ||
*[[BF]] | *[[BF]] | ||
*[[BJH]] | *[[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]] | *[[Ben-Naim models of water#BNS model | BNS]] | ||
*[[Bol model of water | Bol]] | |||
*[[BSV]] | *[[BSV]] | ||
==C== | ==C== | ||
| Line 19: | Line 25: | ||
*[[CF]] | *[[CF]] | ||
*[[CI]] | *[[CI]] | ||
*[[COS]] | *[[COS model of water|COS]] | ||
*[[COS|COS/B2]] | *[[COS model of water|COS/B2]] | ||
*[[COS|COS/G2]] | *[[COS model of water|COS/D2]] | ||
*[[COS|COS/G3]] | *[[COS model of water|COS/G2]] | ||
*[[COS model of water|COS/G3]] | |||
*[[CMP]] | *[[CMP]] | ||
*[[CKL]] | *[[CKL]] | ||
==D== | ==D== | ||
*[[Dahl and Andersen model of water|Dahl and Andersen]] | |||
*[[Dang97]] | *[[Dang97]] | ||
*[[DCF]] | *[[DCF]] | ||
*[[DEC]] | *[[DEC]] | ||
*[[DPP]] | *[[DPP]] | ||
*[[DPP#DPP2|DPP2]] | |||
==E== | ==E== | ||
*[[E3B water model | E3B]] | |||
*[[E3B water model#E3B2 | E3B2]] | |||
*[[E3B water model#E3B3 | E3B3]] | |||
*[[ELBA water model|ELBA]] | |||
*[[ENCS]] | *[[ENCS]] | ||
*[[EPEN/2]] | *[[EPEN/2]] | ||
| Line 36: | Line 49: | ||
*[[F3C]] | *[[F3C]] | ||
==G== | ==G== | ||
*[[Gaussian model of water | Gaussian model]] | |||
*[[GCPM]] | *[[GCPM]] | ||
==H== | ==H== | ||
*[[HBB]] | *[[HBB]] | ||
*[[HBB2-pol model of water|HBB2-pol]] | |||
==K== | ==K== | ||
*[[KJ]] | *[[KJ]] | ||
*[[KKY]] | *[[KKY]] | ||
==M== | ==M== | ||
*[[MB-pol]] | |||
*[[MCDHO]] | *[[MCDHO]] | ||
*[[MCHO]] | *[[MCHO]] | ||
| Line 48: | Line 64: | ||
*[[MCYL]] | *[[MCYL]] | ||
*[[Ben-Naim models of water#Mercedes-Benz model |Mercedes-Benz model]] | *[[Ben-Naim models of water#Mercedes-Benz model |Mercedes-Benz model]] | ||
*[[mW model of water| mW]] | |||
==N== | ==N== | ||
*[[NCC]] | *[[NCC]] | ||
| Line 56: | Line 72: | ||
*[[NSPCE]] | *[[NSPCE]] | ||
*[[NvdE]] | *[[NvdE]] | ||
==O== | |||
*[[OPC3 model of water | OPC3]] | |||
==P== | ==P== | ||
*[[PE]] | *[[PE]] | ||
*[[PMW]] | |||
*[[POL3]] | *[[POL3]] | ||
*[[POL4D model of water | POL4D]] | |||
*[[POL5]] | *[[POL5]] | ||
*[[POLIR]] | *[[POLIR]] | ||
| Line 72: | Line 91: | ||
==R== | ==R== | ||
*[[R]] | *[[R]] | ||
*[[refPOL model of water | refPOL]] | |||
*[[RPOL]] | *[[RPOL]] | ||
*[[RSL2]] | *[[RSL2]] | ||
*[[RWFF model of water | RWFF]] | |||
*[[RWK]] | *[[RWK]] | ||
==S== | ==S== | ||
*[[SAPT-5s]] | *[[SAPT-5s]] | ||
| Line 83: | Line 103: | ||
'''S'''imple '''P'''oint '''C'''harge models | '''S'''imple '''P'''oint '''C'''harge models | ||
*[[SPC]] | *[[SPC]] | ||
*[[SPC/ε water model | SPC/ε]] | |||
*[[SPC/A]] | |||
*[[SPC/E]] | *[[SPC/E]] | ||
*[[SPC/F]] | *[[SPC/F]] | ||
| Line 90: | Line 112: | ||
*[[SPC/Fw]] | *[[SPC/Fw]] | ||
*[[SPC/HW]] | *[[SPC/HW]] | ||
*[[SPC/L]] | |||
*[[SPCP]] | *[[SPCP]] | ||
*[[SPC-pol]] | *[[SPC-pol]] | ||
| Line 97: | Line 120: | ||
*[[SWFLEX]] | *[[SWFLEX]] | ||
*[[SWM4-DP]] | *[[SWM4-DP]] | ||
*[[SWM4-DP | SWM4-NDP]] | *[[SWM4-DP model of water#SWM4-NDP| SWM4-NDP]] | ||
*[[SWM4-DP model of water#SWM6 |SWM6]] | |||
==T== | ==T== | ||
*[[TCPE]] | *[[TCPE]] | ||
'''T'''ransferable '''I'''ntermolecular '''P'''otential models | '''T'''ransferable '''I'''ntermolecular '''P'''otential models | ||
*[[TIP3P]] | *[[TIP3P]] | ||
*[[TIP3P/Fs model of water | TIP3P/Fs]] | |||
*[[TIP4F]] | *[[TIP4F]] | ||
*[[TIP4P]] | *[[TIP4P]] | ||
*[[TIP4P/2005]] | *[[TIP4P/2005]] | ||
*[[TIP4P/2005f water model | TIP4P/2005f]] | |||
*[[TIP4P/ε water model | TIP4P/ε]] | |||
*[[TIP4P-Ew]] | *[[TIP4P-Ew]] | ||
*[[TIP4P/FQ]] | *[[TIP4P/FQ]] | ||
*[[TIP4P-HB]] | *[[TIP4P-HB]] | ||
*[[TIP4P-I]] | |||
*[[TIP4P/Ice]] | *[[TIP4P/Ice]] | ||
*[[TIP4P-pol]] | *[[TIP4P-pol]] | ||
*[[TIP4PQ/2005]] | *[[TIP4PQ/2005]] | ||
*[[TIP4PQ_D2O model of water | TIP4PQ_D2O]] | |||
*[[TIP4PQ_T2O model of water | TIP4PQ_T2O]] | |||
*[[TIP4P-QDP]] | *[[TIP4P-QDP]] | ||
*[[TIP4P-QDP |TIP4P-QDP-LJ]] | *[[TIP4P-QDP |TIP4P-QDP-LJ]] | ||
*[[TIP4Q model of water | TIP4Q]] | |||
*[[TIP5P]] | *[[TIP5P]] | ||
*[[TIP5P-E]] | *[[TIP5P-E]] | ||
| Line 130: | Line 161: | ||
==Recommended reading== | ==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/10.1016/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/ | *[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] | *[http://www.lsbu.ac.uk/water/models.html Water Models, from Martin Chaplin's Water Structure and Science] | ||
[[Category:Water]] | [[Category:Water]] | ||
[[Category: Models]] | [[Category: Models]] | ||
__NOTOC__ | __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