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SUMMARY:Design of Advanced Materials?
DTSTART:20161027T160000
DTEND:20161027T170000
DTSTAMP:20260511T125511Z
UID:dd886ad7429adbc27711cabd373175248f2ef8c79d699cfc61bb5274
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Matthew Rosseinsky\nDepartment of Chemistry\, University
  of Liverpool\, Liverpool\, UK\nThe development of advanced materials will
  increasingly rely on our ability to assemble complex compositions in an o
 rdered predictable manner to generate enhanced properties. It is attractiv
 e to harness the ever-increasing power of computation in the search for ne
 w materials. The scale and nature of the problem make brute force de novo 
 approaches challenging\, while "big data" searches for analogues of existi
 ng structures in databases cannont identify potentially transformative new
  structures. Building chemical knowledge into computational tools used tog
 ether with experiment offers a different and complementary approach. I wil
 l present an example of crystal chemically-informed computational identifi
 cation of a new solid oxide fuel cell cathode (1). This integrated approac
 h has recently allowed us to combine permanent magnetism and electrical po
 larisation in a single phase material above room temperature (2)\, a major
  challenge in materials synthesis because of the competing electronic stru
 cture requirements of these two grounds states. As a counterpoint\, we hav
 e recently used a non-computational multiple length scale symmetry control
  strategy to switch both of these long-range orders in a magnetoelectric m
 ultiferroic at room temperature (3). This emphasises the enduring importan
 ce of developing the crystal chemical understanding that drives "classical
 " approaches to materials design. Design of coherent interfaces between ma
 terials with different crystal structures to permit layer-by-layer heteros
 tructure growth is also discussed. (4)\n(1) M. Dyer et al Science 340\, 84
 7\, 2013\n(2) M. Pitcher et al Science 347\,420\, 2015\n(3) P. Mandal et a
 l Nature 525\, 363\, 2015\n(4) M. O'Sullivan et al Nature Chemistry 8\, 34
 7\, 2016
LOCATION:Espace Provins\, salle Tourbillon\, Rue de l'Industrie 22\, 1950 
 Sion
STATUS:CANCELLED
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