VISTA: Towards more accessible excited-state simulations with AI

VISTA: Towards more accessible excited-state simulations with AI

I have presented on March 20, 2024, the ongoing journey towards making excited-state simulations more accessible with the help of AI/ML. The video recordings and abstract of my talk at VISTA are now available online.


The bi-weekly seminar series “Virtual International Seminar on Theory Advancement” (VISTA) is a “presentation journal”, a platform to facilitate interactions and scientific discussions of the International community at covid time and beyond. The seminar features presentations by researchers at various levels (from undergraduate students to faculty and scientists) on theory and computations for nonequilibrium dynamics of excited states and quantum dynamics, broadly defined. Of special interest to this seminar are new developments in quantum and nonadiabatic dynamics, trajectory-based and surface hopping approaches, semiclassical and quantum-classical methodologies, new software and tools for nonadiabatic and quantum dynamics, as well as the applications of these cutting-edge techniques to a variety of complex systems and materials, such as solar energy harvesting and photoresponsive materials. The experimental works that require the attention of and can benefit from theoretical investigations are also of interest.

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