Excited-state dynamics is the field of theoretical and physical chemistry devoted to simulating molecular processes induced upon UV-visible light absorption. This involves nuclear dynamics methods to determine the time evolution of the molecular geometry used in concert with electronic structure methods ...
This chapter briefly introduces how machine learning can assist excited-state dynamics. We start with an overview of two traditional excited-state dynamics, a two-state system-bath approach in full quantum dynamics and the trajectory surface hopping approach in mixed quantum-classical dynamics. Then,...
A study of the excited-state dynamics of (SO2)m clusters following excitation by ultrafast laser pulses in the range of 4.5 eV (coupled 1A2, 1B1 states) and 9 eV (F band) is presented. The findings for the coupled 1A2 and 1B1 states are in good agreement with published computational ...
Before there was light : Excited state dynamics in luminescent (nano)materials In this thesis we examine two types of luminescent materials: colloidal semiconductor nanocrystals (also known as quantum dots), and crystals doped with lanthanide ions. These materials convert one color of light to anothe...
To understand the excited state dynamics we have performed time resolved fluorescence and femtosecond transient absorption measurements. 2. Experimental 2.1. Synthesis The three tetrazines described have been prepared according to a recent literature procedure based on the Pinner synthesis, modified by ...
Dynamics of vibrationally coupled intersystem crossing in state-of-the-art organic optoelectronic materials Controlling the populations of triplet and singlet states in donor-acceptor conjugated molecules is a prerequisite for developing optoelectronic devices. In this work, the authors propose a methodology...
Excited-state dynamics of the molecules To better understand the underlying mechanism of the non-emissive behaviors of 2TPE-NDTA and 2TPE-2NDTA, femtosecond time-resolved fluorescence (fs-TRF) and femtosecond transient absorption (fs-TA) experiments were implemented to investigate their excited-state...
On the Investigation of Excited State Dynamics with (Pump-)Degenerate Four Wave Mixing third- and fifth-order techniques using sub-20fs pulses can be applied to address coherence and population dynamics in the excited states of biomolecules... T Buckup,JP Kraack,MS Marek,... - Springer Intern...
Ultra-fast excited state dynamics in green fluorescent protein: multiple states and proton transfer. Wild type green fluorescent protein (wt-GFP) and the variant S65T/H148D each exhibit two absorption bands, A and B, which are associated with the protonate... M Chattoraj,BA King,GU Bublitz...
ground state vs. excited state Discover More Example Sentences "Working with this system has highlighted to us the power of the fundamental investigation of materials. As for the hBN system, as a field we can harness excited state dynamics in other new material platforms for use in future quant...