Water models

The following is an incomplete list of models used in computer simulations of water:

A

• AMOEBA
• ASP-S
• ASP-W

B

• Baranyai
• BBL
• Bell-Lavis
• Ben-Naim models
• BF
• BJH
• BK3
• BKd1
• BKd2
• BKd3
• BNS
• Bol
• BSV

C

• CC-pol
• CF
• CI
• COS
• COS/B2
• COS/D2
• COS/G2
• COS/G3
• CMP
• CKL

D

• Dahl and Andersen
• Dang97
• DCF
• DEC
• DPP
• DPP2

E

• E3B
• E3B2
• E3B3
• ELBA
• ENCS
• EPEN/2

F

• F3C

G

• Gaussian model
• GCPM

H

• HBB
• HBB2-pol

K

• KJ
• KKY

M

• MB-pol
• MCDHO
• MCHO
• MCY
• MCYL
• Mercedes-Benz model
• mW

N

• NCC
• NCCvib
• NCF
• NEMO
• NSPCE
• NvdE

O

• OPC3

P

• PE
• PMW
• POL3
• POL4D
• POL5
• POLIR
• PPC
• PTIP4P
• PSRWK
• PW

Q

• QCT
• q-SPC/Fw
• q-TIP4P/F

R

• R
• refPOL
• RPOL
• RSL2
• RWFF
• RWK

S

• SAPT-5s
• SAPT-pp
• SCPDP
• SDFT-5s

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

• TCPE

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

• VRT(MCY-5f)
• VRT(ASP-W)III

W

• WK

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)
• 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