Seminar & workshop, Seoul, 19 October
On 19 October, T&J Tech will host an event. Prof. Keunhong Jeong (Korea Military Academy) will present some recent research, and Fedor will present and demonstrate some recent new capabilities in the Amsterdam Modeling Suite.
Program seminar & demonstration by SCM
• History, background SCM & intro Amsterdam Modeling Suite
• Parametrization of ReaxFF and DFTB with ParAMS
• Modeling OLED materials: accurate ionization potentials, electron affinities, and UV/VIS with GW+BSE, multi-scale device level modeling
• Modeling battery materials: Redox potentials with DFTB, ADF & COSMO-RS, Diffusion barriers with the new M3GNet universal ML potential
• Reaction discovery tools
• Other new and upcoming developments in AMS, such as active learning (on-the-fly ML potentials)
Slides (will be updated!) for the seminar can be downloaded as pptx or pdf.
Input files corresponding to the demonstrations: ReaxFF parametrization, qsGW-BSE calculations, Li diffusion with M3GNet, and reaction exploration are available as a zipped folder.
