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SUMMARY:Let there be light: exploiting machine learning to elucidate optic
 al spectroscopy in the condensed phase - Professor Thomas Markland\, Stanf
 ord University
DTSTART:20210310T170000Z
DTEND:20210310T180000Z
UID:TALK153685@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Chromophores and their photodynamics play a fundamental role i
 n controlling biological functions\, ranging from photosynthesis to visual
  perception\, and in converting solar energy into the chemical energy stor
 ed in liquid solar fuels. These essential processes are finely tuned by th
 e interactions between a chromophore and its complex environment. Time-res
 olved\, multidimensional optical spectroscopies provide a key tool to inve
 stigate these processes. However\, linking these spectroscopies to the ele
 ctronic and nuclear dynamics that give rise to them in the condensed phase
  remains a theoretical challenge due to the need to accurately describe th
 e ground and excited state electronic surfaces and combine them with metho
 ds that can capture spectral signatures arising from dynamical effects\, s
 uch as vibronic progressions\, as well as nuclear quantum effects. In this
  talk I will introduce the different levels of treatment that can be appli
 ed to capture the linear and multidimensional optical spectroscopy of cond
 ensed phase chromophores and demonstrate how the most accurate dynamics-ba
 sed approaches can be made practical by constructing machine learning mode
 ls that greatly accelerate the calculation of multidimensional optical spe
 ctra from first principles.
LOCATION:Zoom - link to be announced
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