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SUMMARY:Leveraging theory and simulation to decode and design multidimensi
 onal electronic spectroscopies in the condensed phase
DTSTART:20260205T170000
DTEND:20260205T180000
DTSTAMP:20261002T042451Z
UID:18dcaa52a9e81decb3c3d5182dcbd1427998889123d1e29c9e301457
CATEGORIES:Conferences - Seminars
DESCRIPTION:Thomas E. Markland\, Department of Chemistry\, Stanford Univer
 sity\nLinear spectroscopies\, ranging from electronic to Raman and infra-r
 ed\, are the workhorse methods used to interrogate nuclear and electronic 
 time and energy scales of chemical systems. However\, in disordered conden
 sed phase systems the presence of many overlapping features makes decoding
  the information present to obtain the individual processes and states pre
 sent\, the timescales of their interconversion\, and the molecular motions
  they arise from extremely challenging. In this talk\, I will discuss how 
 one can harness theory and simulations that include both nuclear and elect
 ronic quantum effects and machine learning to provide molecular-level insi
 ghts into multidimensional spectroscopies. In particular\, two-dimensional
  electronic spectroscopy (2DES) provides rich information about how the el
 ectronic states of molecules\, proteins\, and solid-state materials intera
 ct with each other and their surrounding environment that can be interpret
 ed with the aid of simulations. I will discuss how one can leverage and de
 velop methods from electronic structure theory\, machine learning\, and el
 ectronically nonadiabatic quantum dynamics to develop practical approaches
  to simulate and understand 2DES with atomistic detail\, to uncover how nu
 clear motions mediate electronic energy relaxation and how these processes
  manifest in electronic spectroscopies.\n 
LOCATION:CH G1 495 https://plan.epfl.ch/?room==CH%20G1%20495
STATUS:CONFIRMED
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