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X-WR-CALNAME;VALUE=TEXT:TSE
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TZID:Europe/Paris
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DTSTART:20241027T030000
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UID:calendar.135345.field_date.0@www.tse-fr.eu
DTSTAMP:20260813T215854Z
CREATED:20240712T091001Z
DESCRIPTION:Tony Lelièvre (Ecole Polytechnique and Ecole des Ponts ParisTec
 h\;CERMICS - Centre d'Enseignement et de Recherche en Mathématiques et Cal
 cul Scientifique)\, “Finding saddle points of energy landscapes: why and h
 ow?”\, MAD-Stat. Seminar\, Toulouse: TSE\, November 14\, 2024\, 11:00–12:1
 5\, room Auditorium 3.\n\nThe motivation of this presentation comes from t
 he analysis of metastable stochastic process in statistical physics. One w
 ay to bridge the scale between full atomistic models and more coarse-grain
 ed descriptions is to use Markov State models parameterized by the Eyring 
 Kramers formulas. These formulas give the hopping rates between local mini
 ma of the potential energy function. They require to identify the local mi
 nima and saddle points of the potential energy function. This approach is 
 for example used in materials science (kinetic Monte Carlo models).\n\nIn 
 this talk\, I will first present a recent result obtained in collaboration
  with D. Le Peutrec (Université d'Orléans) and B. Nectoux (Université Cler
 mont Auvergne) about the mathematical foundations of this approach\, by de
 riving these Eyring-Kramers exit rates starting from the overdamped Langev
 in dynamics [1]. I will then introduce a recent algorithm we proposed toge
 ther with P. Parpas (Imperial College London) in order to locate saddle po
 ints [2]. I will explain why these two works both rely on concentration pr
 operties of the eigenvectors of Witten Laplacians\, in the small temperatu
 re regime.\n\nReferences:\n[1] TL\, D. Le Peutrec and B. Nectoux\, Eyring-
 Kramers exit rates for the overdamped Langevin dynamics: the case with sad
 dle points on the boundary\, https://arxiv.org/abs/2207.09284.\n[2] TL\, P
 . Parpas\, Using Witten Laplacians to locate index-1 saddle points\, SIAM 
 Journal on Scientific Computing\, 46(2)\, A770-A797\, (2024).
DTSTART;TZID=Europe/Paris:20241114T110000
DTEND;TZID=Europe/Paris:20241114T121500
LAST-MODIFIED:20240919T001001Z
LOCATION:Toulouse: TSE\, November 14\, 2024\, 11:00–12:15\, room Auditorium
  3
SUMMARY:MAD-Stat. Seminar
URL;TYPE=URI:https://www.tse-fr.eu/seminars/2024-finding-saddle-points-ener
 gy-landscapes-why-and-how
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