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SUMMARY:Applying Matsubara Dynamics to Study Rates in Thermally Dissipativ
 e Systems - William Moore\, University of Cambridge
DTSTART:20230201T150000Z
DTEND:20230201T153000Z
UID:TALK193651@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:The system-bath model is a useful technique for studying a sys
 tem that is coupled to its environment\, such as a bath of phonons coupled
  to an adsorbate on a surface in molecule-surface scattering. Matsubara dy
 namics [1] is a theory for calculating nuclear quantum dynamics in which q
 uantum effects are contained within the statistics while the dynamics evol
 ve classically. Rate constants for the passage over the barrier in a doubl
 e well potential have been calculated using the recently developed Matsuba
 ra Berkowitz approach [2] in which the effect of a bath coupled to the sys
 tem is included implicitly in the dynamics of the system. This method also
  goes some way to tackling the sign problem associated with Matsubara dyna
 mics.\n\n[1] T. J. H. Hele\, M. J. Willatt\, A. Muolo\, and S. C. Althorpe
 \, J. Chem. Phys. 142\, 134103 (2015)\n[2] A. Prada\, E. S. Pós\, and S. 
 C. Althorpe\, arXiv:2211.02042v2 (2022)
LOCATION:Unilever Lecture Theatre\, Yusuf Hamied Department of Chemistry
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