Molecules are dynamical systems that can adopt a variety of three dimensional conformations which, in general, differ in energy and physical properties. The identification of energetically favourable conformations is fundamental in molecular physics and computational chemistry, since it is closely related to important open problems such as the prediction of the folding of proteins and virtual screening for drug design.
In this talk I will present theoretical and data-driven approaches to the study of molecular conformational spaces and their associated energy landscapes. I will show that the topology of the internal molecular conformational space might change after taking its quotient by the group action of a discrete group of symmetries. I will also show that geometric and topological tools for data analysis such as procrustes analysis, local dimensionality reduction, persistent homology and discrete Morse theory provide with efficient methods to study the mathematical structures underlying the molecular conformational spaces and their energy landscapes.
 

The reach is an important geometric invariant of submanifolds of Euclidean space. It is a real-valued global invariant incorporating information about the second fundamental form of the embedding and the location of the first critical point of the distance from the submanifold. In the subject of geometric inference, the reach plays a crucial role. I will give a new method of estimating the reach of a submanifold, developed jointly with Clément Berenfeld, Marc Hoffmann and Krishnan Shankar.

The talk will introduce two general models of random simplicial complexes which extend the highly studied Erdös-Rényi model for random graphs. These models include the well known probabilistic models of random simplicial complexes from Costa-Farber, Kahle, and Linial-Meshulam as special cases. These models turn out to have a satisfying Alexander duality relation between them prompting the hope that information can be transferred for free between them. This turns out to not quite be the case with vanishing probability parameters, but when all parameters are uniformly bounded the duality relation works a treat. Time permitting I may talk about the Rado simplicial complex, the unique (with probability one) infinite random simplicial complex.
This talk is based on various bits of joint work with Michael Farber, Tahl Nowik, and Lewin Strauss.

In this talk, we will provide an overview of results in the setting of granular crystals, consisting of spherical beads interacting through nonlinear elastic spring-like forces. These crystals are used in numerous engineering applications including, e.g., for the production of "sound bullets'' or the examination of bone quality. In one dimension we show that there exist three prototypical types of coherent nonlinear waveforms: shock waves, traveling solitary waves and discrete breathers. The latter are time-periodic, spatially localized structures. For each one, we will analyze the existence theory, presenting connections to prototypical models of nonlinear wave theory, such as the Burgers equation, the Korteweg-de Vries equation and the nonlinear Schrodinger (NLS) equation, respectively. We will also explore the stability of such structures, presenting some explicit stability criteria for traveling waves in lattices. Finally, for each one of these structures, we will complement the mathematical theory and numerical computations with state-of-the-art experiments, allowing their quantitative identification and visualization. Finally, time permitting, ongoing extensions of these themes will be briefly touched upon, most notably in higher dimensions, in heterogeneous or disordered chains and in the presence of damping and driving; associated open questions will also be outlined.

The optimal matching problem is about the rate of convergence
in Wasserstein distance of the empirical measure of iid uniform points
to the Lebesgue measure. We will start by reviewing the macroscopic
behaviour of the matching problem and will then report on recent results
on the mesoscopic behaviour in the thermodynamic regime. These results
rely on a quantitative large-scale linearization of the Monge-Ampere
equation through the Poisson equation. This is based on joint work with
Michael Goldman and Felix Otto.
 

A well-known theorem of Choquet-Bruhat and Geroch states that for given smooth initial data for the Einstein equations there exists a unique maximal globally hyperbolic development. In particular, time evolution of globally hyperbolic solutions is unique. This talk investigates whether the same result holds for quasilinear wave equations defined on a fixed background. After recalling the notion of global hyperbolicity, we first present an example of a quasilinear wave equation for which unique time evolution in fact fails and contrast this with the Einstein equations. We then proceed by presenting conditions on quasilinear wave equations which ensure uniqueness. This talk is based on joint work with Harvey Reall and Felicity Eperon.