Water models

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

A

• ASP-S
• ASP-W

B

• Bell-Lavis
• Ben-Naim models
• BF
• BJH
• BSV

C

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

D

• Dang97
• DCF
• DEC

E

• ENCS
• EPEN/2

F

• F3C

G

• GCPM

K

• KJ
• KKY

M

• MCDHO
• MCHO
• MCY
• MCYL
• Mercedes-Benz

N

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

P

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

Q

• QCT
• q-SPC/Fw

R

• R
• RPOL
• RSL2
• RWK

S

• SAPT-5s
• SAPT-pp
• SCPDP
• SDFT-5s

Simple Point Charge models

• SPC
• SPC/E
• SPC/F
• SPC/F2
• SPC/FP
• SPC/FQ
• SPC/Fw
• SPC/HW
• SPCP
• SPC-pol
• SSD
• ST2
• ST2RF
• SWFLEX
• SWM4-DP
• SWM4-NDP

T

• TCPE

Transferable Intermolecular Potential models

• TIP3P
• TIP4F
• TIP4P
• TIP4P/2005
• TIP4P/Ew
• TIP4P/FQ
• TIP4P-HB
• TIP4P/Ice
• TIP4P-pol
• TIP4PQ/2005
• 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)
• 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