vol.11 Molecular simulation on water and ions in the self-assembled membranes - Prediction of molecular properties by using computer simulation -


†The affiliations in the video are as of the time of filming in October 2020.

Researcher: Yoshiki Ishii
Affiliation: Specially Appointed Lecturer, Graduate School of Information Science, University of Hyogo
Abstract: The water-treatment membrane is a key issue to keep the safe and secure environments for water supply toward the sustainable development goals. In order to understand the nature of molecular transport in the membrane, we're challenging the computational observation of water and ion dynamics in the nanomaterial by using the supercomputer. In this study, the reason why water molecules move fast inside the nanoconfinement is clarified with the simulation methods of quantum chemistry and classical molecular dynamics.

Posted : September 06,2021