Conference paper
Future Computing Hardware for AI
Jeffrey Welser, Jed W. Pitera, et al.
IEDM 2018
A four-site water model, TIP4P-Ew, was developed for biomolecular simulations. It was observed that TIP4P-Ew potential had a potential density maximum at ∼ 1 °C. It was found that the model reproduced bulk-densities and the enthalpy of vaporization from -37.5 to 127 °C at 1 atm. The results show that structural properties of the water model are in good agreement with the x-ray scattering intensities between 0 and 77 °C.
Jeffrey Welser, Jed W. Pitera, et al.
IEDM 2018
Daniel F. Sunday, Matthew R. Hammond, et al.
ACS Nano
Hans W. Horn, William C. Swope, et al.
Journal of Chemical Physics
Lisa E. Felberg, David H. Brookes, et al.
Journal of Physical Chemistry B