Georgia Institute of Technology College of Sciences

We present a multiscale modeling and computational scheme for optical-
mechanical responses of nanostructures. The multi-physical nature of
the problem is a result of the interaction between the electromagnetic
(EM) field, the molecular motion, and the electronic excitation. To
balance accuracy and complexity, we adopt the semi-classical approach
that the EM field is described classically by the Maxwell equations,
and the charged particles follow the Schr ̈oidnger equations quantum
mechanically. To overcome the numerical challenge of solving the high
dimensional multi-component many- body Schr ̈odinger equations, we
further simplify the model with the Ehrenfest molecular dynamics to
determine the motion of the nuclei, and use the Time- Dependent
Current Density Functional Theory (TD-CDFT) to calculate the
excitation of the electrons. This leads to a system of coupled
equations that computes the electromagnetic field, the nuclear
positions, and the electronic current and charge densities
simultaneously. In the regime of linear responses, the resonant
frequencies initiating the out-of-equilibrium optical-mechanical
responses can be formulated as an eigenvalue problem. A
self-consistent multiscale method is designed to deal with the well
separated space scales. The isomerization of Azobenzene is presented as a numerical example.

In 1959 Mark Kac introduced a simple model for the evolution 
of a gas of hard spheres undergoing elastic collisions. The main 
simplification consisted in replacing deterministic collisions with 
random Poisson distributed collisions.

It is possible to obtain many interesting results for this simplified 
dynamics, like estimates on the rate of convergence to equilibrium and 
validity of the Boltzmann equation. The price paid is that this system 
has no space structure.

I will review some classical results on the Kac model and report on an 
attempt to reintroduce some form of space structure and non-equilibrium 
evolution in a way that preserve the mathematical tractability of the 
system.
 

A graph is $k$-critical if its chromatic number is $k$ but any its proper subgraph has chromatic number less than $k$. Let $k\geq 4$. Gallai asked in 1984 if any $k$-critical graph on $n$ vertices contains at least $n$ distinct $(k-1)$-critical subgraphs. Improving a result of Stiebitz, Abbott and Zhou proved in 1995 that every such graph contains $\Omega(n^{1/(k-1)})$ distinct $(k-1)$-critical subgraphs. Since then no progress had been made until very recently, Hare resolved the case $k=4$ by showing that any $4$-critical graph on $n$ vertices contains at least $(8n-29)/3$ odd cycles. We mainly focus on 4-critical graphs and develop some novel tools for counting cycles of specified parity. Our main result shows that any $4$-critical graph on $n$ vertices contains $\Omega(n^2)$ odd cycles, which is tight up to a constant factor by infinite many graphs. As a crucial step, we prove the same bound for 3-connected non-bipartite graphs, which may be of independent interest. Using the tools, we also give a very short proof to the Gallai's problem for the case $k=4$. Moreover, we improve the longstanding lower bound of Abbott and Zhou to $\Omega(n^{1/(k-2)})$ for the general case $k\geq 5$. Joint work with Tianchi Yang.

We will show the sharp estimate on the behavior of the smallest singular value of random matrices under very general assumptions. One of the steps in the proof is a result about the efficient discretization of the unit sphere in an n-dimensional euclidean space. Another step involves the study of the regularity of the behavior of lattice sets. Some elements of the proof will be discussed. Based on the joint work with Tikhomirov and Vershynin.