Crystal Structure Prediction aims to reveal the properties that stable crystalline arrangements of a molecule have without stepping foot in a laboratory, consequently speeding up the discovery of new functional materials. Since it involves producing large datasets that themselves have little structure, an appropriate classification of crystals could add structure to these datasets and further streamline the process. We focus on geometric invariants, in particular introducing the density fingerprint of a crystal. After exploring its computations via Brillouin zones, we go on to show how it is invariant under isometries, stable under perturbations and complete at least for an open and dense space of crystal structures.

Giancarlo Rota once wrote of matroids that "It is as if one were to
condense all trends of present day mathematics onto a single
structure, a feat that anyone would a priori deem impossible, were it
not for the fact that matroids do exist" (Indiscrete Thoughts, 1997).
This makes matroid theory a natural hub through which ideas flow from
one field of mathematics to the next. At the end of our three-day
workshop, participants will understand the most common objects and
constructions in matroid theory to the depth suitable for exploring
many of these interesting connections. We will also pick up some
highly practical matroid tools for working through problems in
persistent homology, (optimal) cycle representatives, and other
objects of interest in TDA.

Day 3, Lecture 1

Circuits in persistent homology

Day 3, Lecture 2

Exercise: write your own persistent homology algorithm!
 

Giancarlo Rota once wrote of matroids that "It is as if one were to
condense all trends of present day mathematics onto a single
structure, a feat that anyone would a priori deem impossible, were it
not for the fact that matroids do exist" (Indiscrete Thoughts, 1997).
This makes matroid theory a natural hub through which ideas flow from
one field of mathematics to the next. At the end of our three-day
workshop, participants will understand the most common objects and
constructions in matroid theory to the depth suitable for exploring
many of these interesting connections. We will also pick up some
highly practical matroid tools for working through problems in
persistent homology, (optimal) cycle representatives, and other
objects of interest in TDA.

Day 2, Lecture 1, 10-10.45am

Matroid representations, continued

Day 2, Lecture 2, 11-11.45am

Matroids in homological algebra

Giancarlo Rota once wrote of matroids that "It is as if one were to
condense all trends of present day mathematics onto a single
structure, a feat that anyone would a priori deem impossible, were it
not for the fact that matroids do exist" (Indiscrete Thoughts, 1997).
This makes matroid theory a natural hub through which ideas flow from
one field of mathematics to the next. At the end of our three-day
workshop, participants will understand the most common objects and
constructions in matroid theory to the depth suitable for exploring
many of these interesting connections. We will also pick up some
highly practical matroid tools for working through problems in
persistent homology, (optimal) cycle representatives, and other
objects of interest in TDA.

Condensed outline

Day 1, Lecture 1, 10-10.45am

Definitions There are many definitions of matroids. Here's how to organize them.
Examples We work with matroids every day. Here are a few you have seen.
Important properties What's so great about a matroid?

Day 1, Lecture 2, 11-11.45am

The essential operations: deletion, contraction, and dualization
Working with matroids: matrix representations