Mathematical Modeling of 2D Materials

May 16 - 19, 2017

Content

Overview

Poster:

SW5.16-19.17_poster.pdf

Organizers:

Eric Cances	École Nationale des Ponts-et-Chaussées (ENPC)
Cinzia Casiraghi	University of Manchester
Efthimios Kaxiras	Harvard University
Mitchell Luskin	University of Minnesota, Twin Cities
Dionisios Margetis	University of Maryland
Michael Weinstein	Columbia University
Huili (Grace) Xing	Cornell University
Boris Yakobson	Rice University

The unique electronic, optical, and mechanical properties of 2D materials have sparked an extraordinary level of experimental, theoretical, and computational activity in the materials science community. Interest in the mathematics community has recently emerged to develop rigorous foundations, improved models, and computational methods.

This workshop will be the first 2D materials workshop to focus on mathematical modeling and computing aspects. Some of the topics to be explored will be the electronic, optical, and mechanical properties of incommensurate heterostructures, defects, edge states, and surface plasmonics. A major goal of this workshop is to develop a community of mathematicians, scientists, and engineers that will contribute to the future development of 2D materials.

Schedule

Tuesday, May 16, 2017

1:00 pm - 1:40 pm	Coffee and registration	Lind 400
1:50 pm - 2:00 pm	Welcome and introduction	Murphy 130
2:00 pm - 2:40 pm	Commensuration and Incommensuration in the van der Waals Heterojunctions Philip Kim (Harvard University)	Murphy 130
2:50 pm - 3:30 pm	Moiré Patterns in Two-Dimensional Materials Allan MacDonald (The University of Texas at Austin)	Murphy 130
3:30 pm - 4:00 pm	Break / Coffee	Lind 400
4:00 pm - 4:40 pm	Van der Waals heterostructures: fabrication and materials issues James Hone (Columbia University)	Murphy 130
4:50 pm - 5:30 pm	Predictive modeling of 2D materials, from synthesis to properties Boris Yakobson (Rice University)	Murphy 130
5:45 pm - 7:00 pm	Poster Session and Reception	Lind 400

Wednesday, May 17, 2017

8:30 am - 9:00 am	Coffee	Keller 3-176
9:00 am - 9:40 am	Novel Quantum Phenomena in Atomically Thin 2D Materials Steven Louie (University of California, Berkeley)	Keller 3-180
9:50 am - 10:30 am	Properties of 2D layered heterostructures: Theory and applications Efthimios Kaxiras (Harvard University)	Keller 3-180
10:30 am - 10:40 am	Group Photo	Keller 3-180
10:40 am - 11:00 am	Break	Keller 3-176
11:00 am - 11:40 am	Electronic and Optical Properties of 2D Atomic InSe Crystals Vladimir Falko (University of Manchester)	Keller 3-180
11:50 am - 2:00 pm	Lunch
2:00 pm - 2:40 pm	2D Materials, from Excitons to Elephants Paul McEuen (Cornell University)	Keller 3-180
2:50 pm - 3:30 pm	Hundreds of New 2D and 1D Weakly Bonded Solids Revealed by Data Mining and their Electromechanical Properties Evan Reed (Stanford University)	Keller 3-180
3:30 pm - 4:00 pm	Break	Keller 3-176
4:00 pm - 4:40 pm	Multiscale Modeling of Defects in 2D Sheets David Srolovitz (University of Pennsylvania)	Keller 3-180
4:50 pm - 5:30 pm	Non-Hookean Statistical Mechanics of Thermalized Graphene Sheets Mark Bowick (Syracuse University)	Keller 3-180

Thursday, May 18, 2017

8:30 am - 9:00 am	Coffee	Keller 3-176
9:00 am - 9:40 am	Honeycomb structures, Edge States and the Strong Binding Regime Michael Weinstein (Columbia University)	Keller 3-180
9:50 am - 10:30 am	Elements of a Computational Program in Non-Commutative Geometry Emil Prodan (Yeshiva University)	Keller 3-180
10:30 am - 11:00 am	Break	Keller 3-176
11:00 am - 11:40 am	Incommensurate and disordered quantum systems Eric Cances (École Nationale des Ponts-et-Chaussées (ENPC))	Keller 3-180
11:50 am - 2:00 pm	Lunch
2:00 pm - 2:40 pm	Bulk-edge correspondence in the presence of a mobility gap Gian Graf (Eidgenössische TH Zürich-Hönggerberg)	Keller 3-180
2:50 pm - 3:30 pm	Effects of geometry on surface plasmons-polaritons: An analytical approach Dionisios Margetis (University of Maryland)	Keller 3-180
3:30 pm - 4:00 pm	Break	Keller 3-176
4:00 pm - 4:20 pm	Finite element simulation of surface plasmon-polaritons: generation by edge effects, and resonance Matthias Maier (University of Minnesota, Twin Cities)	Keller 3-180
4:20 pm - 4:40 pm	Topological Phases in Transition Metal Chalcogenides Junwei Liu (Massachusetts Institute of Technology)	Keller 3-180

Friday, May 19, 2017

8:30 am - 9:00 am	Coffee	Keller 3-176
9:00 am - 9:20 am	Unconventional quasiparticle scattering in disordered TMDs Kristen Kaasbjerg (Technical University of Denmark)	Keller 3-180
9:20 am - 9:40 am	Layer Materials in the Flatland: Twisted Geometry and the Strain Effects Shiang Fang (Harvard University)	Keller 3-180
9:40 am - 10:00 am	Break	Keller 3-176
10:00 am - 10:20 am	Modeling Twisted Heterostructures and Understanding Their Common Spectral Features Stephen Carr (Harvard University)	Keller 3-180
10:20 am - 10:40 am	Electronic Density of States for Incommensurate Layers Daniel Massatt (University of Minnesota, Twin Cities)	Keller 3-180
10:40 am - 11:00 am	Break	Keller 3-176
11:00 am - 11:20 am	Numerical modeling of incommensurate Moiré atomic structures via C* algebras Paul Cazeaux (University of Minnesota, Twin Cities)	Keller 3-180
11:20 am - 11:40 am	Accelerated Sampling of Random Defects in 2D Materials Petr Plechac (University of Delaware)	Keller 3-180

Participants

Name	Department	Affiliation
Hussain Alsalman	National Nanotechnology Center	King Abdulaziz City for Science and Technology
Rubab Amin	Department of Electrical and Computer Engineering	George Washington University
Athmane Bakhta	Center for Applied Scientific Computing	Ecole Nationale des Ponts et Chaussees
Sudipta Romen Biswas		University of Minnesota, Twin Cities
Mark Bowick	Department of Physics	Syracuse University
Eric Cances	CERMICS	École Nationale des Ponts-et-Chaussées (ENPC)
Stephen Carr	Department of Physics	Harvard University
Paul Cazeaux	School of Mathematics	University of Minnesota, Twin Cities
Andrey Chaves	Departamento de Fisica	Universidade Federal do Ceará
Wei Chen	Department of Physics	Harvard University
Zi Chen	Thayer School of Engineering	Dartmouth College
Rebecca Engelke	Department of Physics	Harvard University
Malena Espanol	Department of Mathematics	University of Akron
Vladimir Falko	National Graphene Institute	University of Manchester
Ioanna Fampiou	Department of Chemistry and Chemical Biology	Harvard University
Shiang Fang	Department of Physics	Harvard University
Zhe Fei	Department of Physics and Astronomy	Iowa State University
Han Fu	Department of Physics and Astronomy	University of Minnesota, Twin Cities
Swarnava Ghosh		California Institute of Technology
Dmitry Golovaty	Department of Mathematics	University of Akron
Gian Graf	Institute of Theoretical Physics	Eidgenössische TH Zürich-Hönggerberg
Ge He	Department of Mechanical Engineering	Mississippi State University
James Hone	Department of Mechanical Engineering	Columbia University
Fengrui Hu	Department of Physics and Astronomy	Iowa State University
Prashant Jha	Department of Mathematics	Louisiana State University
Kristen Kaasbjerg		Technical University of Denmark
Efthimios Kaxiras	Department of Physics	Harvard University
Minh Kha		Texas A & M University
Philip Kim	Department of Physics	Harvard University
Daniel Larson	Department of Physics	Harvard University
Xingjie Li	Department of Mathematics	University of North Carolina at Charlotte
Robert Lipton	Department of Mathematics	Louisiana State University
Junwei Liu	Department of Physics	Massachusetts Institute of Technology
Yucheng Liu	Department of Mechanical Engineering	Mississippi State University
Terry Loring	Department of Mathematics and Statistics	University of New Mexico
Steven Louie	Department of Physics	University of California, Berkeley
Tony Low	Department of Electrical and Computer Engineering	University of Minnesota, Twin Cities
Yilong Luan	Department of Physics and Astronomy	Iowa State University
Mitchell Luskin	School of Mathematics	University of Minnesota, Twin Cities
Allan MacDonald	Department of Physics	The University of Texas at Austin
Matthias Maier	School of Mathematics	University of Minnesota, Twin Cities
Dionisios Margetis	Department of Mathematics	University of Maryland
Daniel Massatt	School of Mathematics	University of Minnesota, Twin Cities
Marios Matthaiakis	John A. Paulson School Of Engineering And Applied Sciences	Harvard University
Paul McEuen	Department of Physics	Cornell University
Agnieszka Miedlar	Department of Mathematics	University of Kansas
Misun Min	Mathematics and Computer Science Division	Argonne National Laboratory
Mallikarjunaiah Muddamallappa	Department of Mathematical Sciences	Worcester Polytechnic Institute
Khanh Nguyen	Department of Mathematics	University of Houston
Tuan Nguyen		University of Minnesota, Twin Cities
Petr Plechac	Department of Mathematical Sciences	University of Delaware
Emil Prodan	Department of Physics and Department of Mathematical Sciences	Yeshiva University
Neeraj Rai	Dave C. Swalm School of Chemical Engineering	Mississippi State University
Evan Reed	Department of Materials Science and Engineering	Stanford University
Kostantin Reich	Department of Physics and Astronomy	University of Minnesota, Twin Cities
Michael Sammon	Department of Physics and Astronomy	University of Minnesota, Twin Cities
Duygu Sap	Department of Mathematics	University of Pittsburgh
Ibrahim Sarpkaya	Department of Electrical and Computer Engineering	George Washington University
Boris Shklovskii	School of Physics and Astronomy	University of Minnesota, Twin Cities
Jung Song		University of Minnesota, Twin Cities
David Srolovitz	Materials Science and Engineering & Mechanical Engineering and Applied Mechanics	University of Pennsylvania
Roman Sverdlov		University of New Mexico
Shawn Walker	Department of Mathematics	Louisiana State University
Michael Weinstein	Department of Applied Physics and Applied Mathematics and Department of Mathematics	Columbia University
Mingjian Wen	Department of Aerospace Engineering and Mechanics	University of Minnesota, Twin Cities
Josh Wilson		Argonne National Laboratory
Boris Yakobson	Department of Materials Science & NanoEngineering	Rice University
Xiu Yang	Advanced Computing, Mathematics and Data Division	Battelle Pacific Northwest National Laboratory
Hyobin Yoo		Harvard University
Jhih-Shih You	Department of Physics	Harvard University
Anna Zemlyanova	Department of Mathematics	Kansas State University
Kuan Zhang	Department of Aerospace Engineering and Mechanics	University of Minnesota, Twin Cities