diff --git a/db/citations.yml b/db/citations.yml index 0074649..4c31967 100644 --- a/db/citations.yml +++ b/db/citations.yml @@ -5475,7 +5475,7 @@ greta;prl13: wwwemail: '' wwwpub: http://slapper.apam.columbia.edu/bib-eu9iifae/papers/gretarsson_prl13.pdf year: '2013' -griff;unpub23: +griff;nm24: ackno: Work at Brookhaven National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-SC0012704 (J.G., A.F.S., L.W., M.P.M.D., I.R. and S.J.L.B). Sample preparation diff --git a/db/presentations.yml b/db/presentations.yml index 87bca6c..a361668 100644 --- a/db/presentations.yml +++ b/db/presentations.yml @@ -5582,7 +5582,7 @@ status: accepted subtitle: Some personal thoughts on determination and interpretation of structural models - title: Big box, small box, black box, George Box + title: Big box, small box, black box, {George Box} type: invited 2408sb_padovasoftwarefayre,italy: abstract: na @@ -5599,6 +5599,20 @@ status: accepted title: Updates on PDF modeling software with diffpy-cm type: invited +2409sb_krakow,poland: + abstract: tbd + authors: + - sbillinge + begin_date: 2024-09-01 + end_date: 2024-09-08 + location: Krakow, Poland + meeting_name: RAC International Summer School 2024 + notes: [] + project: + - all + status: accepted + title: tbd + type: invited 2409sb_krakow_poland: abstract: At the heart of materials science studies for next generation materials is an idea that we want to be studying real materials doing real things, often @@ -5629,6 +5643,43 @@ status: accepted title: '{AI} in material structure research: basics and applications' type: invited +2409sb_macsmin,universityofliverpool,uk: + abstract: We have recently been thinking, somewhat whimsically, about the materials + genome. The materials genome initiative (MGI) is a US government initiative from + 2011 to speed up, and lower the cost of, the discovery of new advanced materials, + and their deployment in technologies, by applying data analytic methods inspired + by biological genomics. Of course, materials do not have a genome. However, + if we generalize the concept of a genome as a 1D discrete quantity that codes + for the 3-dimensional arrangement of atoms, then we do have quantities that could + serve as this generalized genome. At MACSMIN 2023 I introduced our thinking on + this idea in a general sense. In this talk I will briefly reiterate the main + idea, and then discuss, developments in our thinking over the past year. Two new + concepts emerge from this framing. One is the idea of the materials ribosome. The + ribosome is the cellular machinery that converts a DNA code into protein molecules + which then fold to unique 3D structures. For our materials genome, this would + be machinery, either physical or computational, that can convert our materials + genome code into a 3D structure. The other concept is that of heredity, whereby + we can find new materials similar to existing ones by making small mutations to + our materials genome. I will discuss how this way of thinking can guide us in + our search for genomic codings for materials structure. Something that has emerged + from this thinking is a realization that the field of crystallography doesn't + have clear definitions of what constitutes a structure. I call this the "structure + definition problem" and I suggest that, as a community it would be most beneficial + if we could address this problem and formalize definitions for what is meant by + materials structure. + authors: + - sbillinge + begin_date: 2024-09-09 + end_date: 2024-09-13 + location: University of Liverpool, UK + meeting_name: MACSMIN 2024 + notes: [] + project: + - all + status: accepted + title: Materials genomics, materials heredity and the structure definition problem + type: invited + webinar: true 2409sb_padovaepdic,italy: abstract: At the heart of powder diffraction is the idea that we are studying real materials doing real things, often in real devices. It is now possible to solve