CCL: APS March Meeting 2017, Focus Topic
- From: "Schleife, Andre" <schleife .
illinois.edu>
- Subject: CCL: APS March Meeting 2017, Focus Topic
- Date: Thu, 1 Sep 2016 03:41:42 +0000
Sent to CCL by: "Schleife, Andre" [schleife++illinois.edu]
Dear colleagues,
Abstract submission for the APS March Meeting (March 13-17, 2017 - New
Orleans, LA) is now open! We would like to draw your attention to the
Focus Topic "First-Principles Modeling of Excited-State Phenomena in
Materials", organized by Noa Marom, Andre Schleife, Volker Blum, and
Emmanuel Kioupakis (cross-listed as 16.1.6, 5.1.8, 12.1.8, and 14.1.3):
https://www.aps.org/units/dcomp/meetings/focus-topics.cfm
Many properties of functional materials, interfaces, and nano-structures
derive from electronic excitations. These processes determine properties
such as ionization potential and electron affinity, optical spectra and
exciton binding energies, electron-phonon coupling, charge transition
levels, and energy level alignment at interfaces. Hot carriers in
semiconductors and nanostructures are generated, transition between
excited states, transfer energy to the lattice, and recombine with each
other.
A proper description of electronic excitations requires theoretical
approaches that go beyond ground state density functional theory. Advances
in high performance computing and scalable implementations in several
popular electronic structure packages enable further progress. While
sophisticated calculations are accessible for many users and feasible for
large, complex systems, these methods require cutting-edge expertise in
order to successfully interpret experiments.
This focus topic is dedicated to recent advances in many-body perturbation
theory and electron-ion dynamics methods for electronic excitations:
challenges, scalable implementations in electronic structure codes, and
applications to functional materials, interfaces, molecules, and
nano-structures. It aims to attract researchers working on the nexus of
electronic and optical properties of materials, hot electron dynamics, and
device physics.
This FT is a merge of the two 2016 FTs "Many-Body Perturbation Theory for
Electronic Excitations in Materials" and "Theory and Simulation of
Excited-state Phenomena in Semiconductors and Nanostructures". If you are
working in these fields of research, please consider submitting your
contributed abstract to our focus session! Apologies for cross-posting,
but a strong showing from the community will ensure the FT's success and
continuity.
We wish you a pleasant fall semester! With best regards,
Noa Marom,
Andre Schleife,
Volker Blum,
Emmanouil Kioupakis.
--
André Schleife
Blue Waters Assistant Professor
Department of Materials Science and Engineering
University of Illinois, Urbana-Champaign
Email: schleife(_)illinois.edu
Phone: +1 (217) 244 0339
Web: http://schleife.matse.illinois.edu