Abstract
By a News Reporter-Staff News Editor at Robotics & Machine Learning Daily News Daily News-New research on Artificial Intelligenc e is the subject of a report.According to news reporting originating from Zheji ang,People's Republic of China,by NewsRx correspondents,research stated,"Tim e-resolved spectroscopy is an important tool for unraveling the minute details o f structural changes in molecules of biological and technological significance.The nonlinear femtosecond signals detected for such systems must be interpreted,but it is a challenging task for which theoretical simulations are often indisp ensable." Our news editors obtained a quote from the research from Hangzhou Dianzi Univers ity,"Accurate simulations of transient absorption or two-dimensional electronic spectra are,however,computationally very expensive,prohibiting the wider ado ption of existing first-principles methods.Here,we report an artificial-intell igence-enhanced protocol to drastically reduce the computational cost of simulat ing nonlinear time-resolved electronic spectra,which makes such simulations aff ordable for polyatomic molecules of increasing size.The protocol is based on th e doorway-window approach for the on-the-fly surface-hopping simulations."
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