2019

 

Math Seminar: Classical and Machine-Learning Methods for Quantum Simulation
Thomas F. Miller III, Professor of Chemistry, Division of Chemistry and Chemical Engineering, California Institute of Technology (CALTECH)

April 12, 2019
11:20-12:20 
Business and Science Building (BSB), Room 334

  • A focus of my research is to the develop simulation methods that reveal the mechanistic details of quantum mechanical reactions that are central to biological, molecular, and heterogenous catalysis. The nature of this effort is three-fold: we combine quantum statistical mechanics and semiclassical dynamics methods to expand the scope and reliability of condensed-phase quantum dynamics simulation; we develop quantum embedding and machine learning methods that improve the description of molecular interactions and electronic properties; and we apply these methods to understand complex chemical systems. The talk will focus on recent developments [1] and applications [2] of Feynman path integral methods for the description of non-adiabatic chemical dynamics, including proton-coupled electron-transfer and long-ranged electron transfer in protein systems. Additionally, we will describe a machine-learning approach [3,4] to predicting the electronic structure results on the basis of simple molecular orbitals properties, yielding striking accuracy and transferability across chemical systems at low computational cost.

    [1] “Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics.” X. Tao, P. Shushkov, and T. F. Miller III, J. Chem. Phys., 148, 102327 (2018).

    [2] “Fluctuating hydrogen-bond networks govern anomalous electron transfer kinetics in a blue copper protein.” J. S. Kretchmer, N. Boekelheide, J. J. Warren, J. R. Winkler, H. B. Gray, and T. F. Miller III, Proc. Natl. Acad. Sci. USA, 115, 6129 (2018).

    [3] “Transferability in machine learning for electronic structure via the molecular orbital basis.” M. Welborn, L. Cheng, and T. F. Miller III, J. Chem. Theory Comput., 14, 4772 (2018).

    [4] “A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules.” L. Cheng, M. Welborn, and T. F. Miller III, arXiv:1901.03309 (2019).

 

Math Seminar: Non-local Navier-Stokes equations
Camillo De Lellis,  Institute of Advanced Study in Princeton, NJ
February 22, 2019
11:20-12:20 
Armitage Hall Room 121

  • I will consider a variant of the Navier-Stokes equations, where the classical Laplacian is substituted by a fractional Laplacian $-(-\Delta)^\alpha$. I will present two results. In the hypodissipative case, i.e. when $\alpha$ is sufficiently small, in a joint work with Maria Colombo and Luigi De Rosa we show that Leray solutions are ill-posed. In the hyperdissipative case, i.e. when $\alpha>1$, in a joint work with Maria Colombo and Annalisa Massaccesi we prove a “strong analog” of the Caffarelli-Kohn-Nirenberg Theorem, which strengthens the conclusions of a previous work by Katz and Pavlovic.

 

Math Seminar: Mixing and the Glass Transition
Aaron Smith,  University of Ottawa, Department of Mathematics and Statistics 
February 1, 2019
11:20-12:20 
Business and Science Building BSB 334

  • Supercooled liquid forms when a liquid is cooled below its usual freezing temperature without entering a crystalline solid phase. As supercooled liquids continue to get colder, they exhibit something called the glass transition: they remain disordered, but start to otherwise behave much like solids. This glass transition is important for many materials, including rubbers and colloids, but is not theoretically well-understood. In this talk I will introduce a simple model for the glass transition that is easy to understand but difficult to study. I will then introduce two related families of models, introduced by physicists, that seem to give similar “glassy” behavior. Finally, I will present some heuristics and recent results on the relaxation and mixing behavior of these two models. My results in this talk are from joint and ongoing work with Paul Chleboun, Alessandra Faggionato, Fabio Martinelli, Natesh Pillai and Cristina Toninelli.

2018

Temple-Rutgers Global Analysis Seminar:
Rational sphere maps
Professor John P. D’Angelo, University of Illinois
November 16, 2018
10:00-11:00 pm
BSB 334

Temple-Rutgers Global Analysis Seminar:
The $\overline\partial$-Neumann problem and Schrodinger operators
Professor Friedrich Haslinger, University of Vienna, Austria
November 16, 2018
11:20-12:20 pm
BSB 334

Temple-Rutgers Global Analysis Seminar:
On the $C^\infty$ regularity of CR mappings of positive codimension
Professor Nordine Mir Texas A & M University-Qatar, Qatar
October 19, 2018
11:20-12:20 pm
ATG 121

Temple-Rutgers Global Analysis Seminar:
Chains in CR geometry as geodesics of a Kropina metric
Vladimir Matveev, Friedrich Schiller University in Jena, Germany
September 28, 2018
11:20-12:20 pm
ATG 121

Temple-Rutgers Global Analysis Seminar:
Schatten class $\overline{\partial}$-Neumann operator
Sönmez ?ahuto?lu, University of Toledo
April 20, 2018
3-3:50 pm
BSB 116

Temple-Rutgers Global Analysis Seminar
Escobar-Yamabe compactification for Poincare-Einstein manifolds and related rigidity theorems
Fang Wang, Shanghai Jiao Tong University 
April 20, 2018
4-4:50 pm
BSB 116

Temple-Rutgers Global Analysis Seminar:
Cornered Asymptotically Hyperbolic Metrics
Stephen McKeown,
Princeton University
April 6, 2018
3-3:50 pm
BSB 116

Temple-Rutgers Global Analysis Seminar:
Rational and polynomial density on compact real manifolds
Purvi Gupta, 
Rutgers University-New Brunswick
March 30, 2018
3-3:50 pm
BSB 116

Couplings, metrics and contraction rates for Langevin diffusions 
Andreas Eberle, University of Bonn, Germany
March 23, 2018
11:20 am-12:20 pm
Armitage 121

“Metastability of the Nonlinear Wave Equation”
Katherine Newhall, UNC
February 23, 2018
11:20 am- 12:20 pm
Armitage 121

“Pricing Uber’s Marketplace”
James Davis, Senior Data Scientist at Uber & a 2010 graduate of Rutgers–Camden Mathematics
February 16, 2018
11:20 am- 12:20 pm
Penn 401 (Note special location)

“Kinetics of Particles with Short-range Interactions”
Miranda Holmes-Cerfon, NYU Courant
February 9, 2018
11:20 am- 12:20 pm
Armitage 121

“Stochastic Simulation of Multiscale Reaction-Diffusion Models via First Exit Times” 
Lina Meinecke, Department of Mathematics at UC Irvine 
January 26, 2018
11:20 am- 12:20 pm
Armitage 121