The Gutzwiller approximation is a method for strongl y-correlated systems\, it is the simplest theory that successfully capture s the correlated induced metal-insulator transition\, i.e. mott transition . Density function theory (DFT) is a very efficient method to deal with ma ny-electron systems\, thus currently quantum molecular dynamics (QMD) simu lations are dominantly based on DFT\, however DFT fails to describe many s trong electron correlation phenomenon\, for example the mott transition. < /span>

\n\nWe proposed a new scheme of quantum mo lecular dynamics based on the Gutzwiller method\, the Gutzwiller quantum m olecular dynamics (GQMD). A liquid Hubbard model is studied by GQMD\, two schemes of mott metal-insulator transition is found at different densities \, based on which a phase diagram can be given to describe different state s of the Hubbard liquid system. An effort to apply GQMD to real materials is also made on hydrogen system at high temperature and pressure condition s.

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\n DTSTART:20210420T193000Z LOCATION:Online\, Room via Zoom SUMMARY:Gutzwiller Quantum Molecular Dynamics Simulation in Liquid END:VEVENT END:VCALENDAR