Jian Wang1,*, Yonggang Zheng1, Hongwu Zhang1, Hongfei Ye1
The International Conference on Computational & Experimental Engineering and Sciences, Vol.27, No.3, pp. 1-1, 2023, DOI:10.32604/icces.2023.09761
Abstract Water is the most ubiquitous fluid in nature and widely exists in the micro/nanoconfinement of leafstalks,
shale, bones, etc. The complex relation of the properties and behaviours of water to the temperature,
pressure and confinement size enhances the difficulty in the accurate simulation, such as the supercooled
state of pure water below the freezing point. As a powerful tool, molecular dynamics simulation is adequate
for investigating the relevant properties and behaviours. However, accurately calculating the physical
properties of liquid and supercooled water is quite challenging by molecular simulations owing to limited
model parameters. Machine learning (ML) techniques and temperature-dependent parameters… More >
Login
Register
