2021 MRS Spring Meeting

Symposium Sessions


  • Broader Impact (BI)
  • Characterization and Modeling (CT)
  • Electronics and Optics (EL)
  • Energy and Sustainability (EN)
  • Nanoscale and Quantum Materials (NM)
  • Soft Materials and Biomaterials (SM)
  • Structural Materials (ST)

Symposium CT07—Excited-State Properties of Materials—Theory and Computation

Recent studies of the electronic excited states of materials have led to the discoveries of rich and fascinating phenomena that are distinct from those in the ground state. Various theoretical and computational methods have been developed and utilized to understand material properties in excited states, which reveal a number of highly interesting physical effects with diverse potential technological applications. Examples include various excitonic effects in transition metal dichalcogenide (TMD) systems (including moiré minibands for the excitons in aligned TMD heterostructures) and magneto-optical responses in van der Waals magnets.

This symposium aims to bring together materials scientists and condensed matter physicists who develop and combine various theoretical and computational approaches to study materials in their electronic excited states. Abstracts are solicited in the areas of methodology development and material applications. The category of theoretical and computational methods includes modelling of electronic excited states, ab initio methods, computational spectroscopy, etc. The category of material systems includes bulk semiconductors, polymers and perovskites, as well as topological insulators, van der Waals crystals (e.g., transition metal dichalcogenides, 2D magnets), and one-dimensional materials (e.g., carbon nanotubes).

Topics will include:

  • Excitons and light-matter interaction
  • Electron-phonon coupling
  • Many-body perturbation theory
  • Time-dependent density functional theory
  • Out-of-equilibrium material properties
  • Computational spectroscopy
  • Optical and transport properties of halide perovskites
  • Excited-state properties of 2D semiconductors (e.g. transition metal dichalcogenides)
  • Excited-state properties of magnetic nanostructures
  • Excited-state properties of van der Waals superlattices
  • Excited-state properties of 1D materials (e.g. carbon nanotube, polymers)

Invited Speakers:

  • Claudia Draxl (Humboldt-Universität zu Berlin, Germany)
  • Giulia Galli (The University of Chicago, USA)
  • Feliciano Giustino (The University of Texas at Austin, USA)
  • Angelika Knothe (The University of Manchester, United Kingdom)
  • Ju Li (Massachusetts Institute of Technology, USA)
  • Steven Louie (University of California, Berkeley, USA)
  • Nicola Marzari (École Polytechnique Fédérale de Lausanne, Switzerland)
  • Alberto Morpurgo (Geneva University, Switzerland)
  • Jeffrey Neaon (Lawrence Berkeley National Laboratory, USA)
  • Xiaofeng Qian (Texas A&M University, USA)
  • Su Ying Quek (National University of Singapore, Singapore)
  • Lucia Reining (Institut Polytechnique de Paris, France)
  • Angel Rubio (University of the Basque Country, Spain)
  • David Ruiz-Tijerina (Centro de Nanociencias y Nanotecnología, Mexico)
  • Kristian Thygesen (Technical University of Denmark, Denmark)
  • Zhenyu Zhang (University of Science and Technology of China, China)

Symposium Organizers

Ting Cao
University of Washington
Department of Materials Science and Engineering

Vladimir Fal’ko
The University of Manchester
National Graphene Institute
United Kingdom

Diana Qiu
Yale University
Department of Mechanical Engineering and Materials Science

Wang Yao
The University of Hong Kong
Department of Physics
Hong Kong

Publishing Alliance

MRS publishes with Springer Nature


Symposium Support