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Merge pull request #580 from sbillinge/cleaning
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clean ecm talk title and roundtrip
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sbillinge authored Dec 30, 2024
2 parents 43676cb + eadf245 commit 38e3955
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2 changes: 1 addition & 1 deletion db/citations.yml
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Expand Up @@ -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
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53 changes: 52 additions & 1 deletion db/presentations.yml
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Expand Up @@ -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
Expand All @@ -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
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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
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