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SUMMARY:Surveying Energy Landscapes: From Protein Folding to Bistable Liqu
 id Crystal Device and Cylindrical Buckling - Halim Kusumaatmaja (Universit
 y of Durham)
DTSTART:20190114T114500Z
DTEND:20190114T123000Z
UID:TALK116863@talks.cam.ac.uk
CONTACT:INI IT
DESCRIPTION:Given a Hamiltonian or energy functional\, I will describe a s
 uite of numerical methods designed to efficiently characterise its energy 
 landscape. The methods allow systematic study of not only the most relevan
 t minimum energy configurations\, but also the transition pathways between
  any two minima\, as well as their corresponding energy barriers and trans
 ition state configurations. I will then illustrate the versatility of the 
 methods by studying three very distinct problems. First\, using a multista
 ble liquid crystal square well as an example\, I will provide insights int
 o how optimal transition pathways can be qualitatively different even thou
 gh the minimum energy configurations remain similar\, and how certain mini
 ma can lose stability. Second\, I will study how thin cylindrical shells b
 uckle. In particular\, I will discuss the large number of minima we observ
 e and whether we have a glassy or a structure-seeker energy landscape. Thi
 rd\, while efficient algorithms for cluster detection and data completion 
 in high-dimensional spaces are well developed\, considerably less is known
  about the reliable inference of state transition dynamics in such setting
 s. Here I will show how we can reconstruct low-dimensional dynamical trans
 ition networks from high-dimensional static samples\, and demonstrate the 
 practical potential of our scheme for several protein folding transitions.
LOCATION:Seminar Room 1\, Newton Institute
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