Scientific report regarding the CECAM Workshop: “Charge carrier dynamics in nanostructures: optoelectronic and photo-stimulated processes”

Organizers:   Thomas Frauenheim (University of Bremen, Germany)

Oleg Prezhdo (University of Southern California, Los Angeles, US)

Christoph Lienau (University of Oldenburg, Germany)

Chiyung Yam (Computational Science Research Center, Beijing, China)

Location:       University of Bremen, Germany,

9th until 13th of October 2017

  1. State-of-the-Art Summary

Advances of time-resolved experimental techniques, needed for a detailed understanding of charge carrier dynamics as they occur in real time, require matching progress in theoretical approaches. Applications to novel, emerging nanoscale materials, which ultimately lead to faster, more efficient and miniaturized devices, pose multiple theoretical challenges. Modeling time-resolved experimental data becomes a major goal of a theorist.

The proposed workshop became a forum to brainstorm ideas about solutions to important computational problems, and identify new directions for time-dependant electronic structure method development and challenging applications. In this way, we have been able to create an exchange mechanism to unite a core of developers in an interactive environment, in order to initiate design of a new generation software tools for quantum modelling of realistic complex systems and nanostructures in electronic ground and excited states. The delivery of this technology to a broad community will facilitate breakthroughs on high-impact materials science problems.
Continue reading Scientific report regarding the CECAM Workshop: “Charge carrier dynamics in nanostructures: optoelectronic and photo-stimulated processes”

Scientific report on the CECAM/Psi-K workshop on “Quantum-chemistry methods for materials science”

CECAM-HQ-EPFL, Lausanne, Switzerland, 08-10 November 2017

OrganizersIgor Ying Zhang and Matthias Scheffler (Fritz Haber Institute of the Max Planck Society (FHI), Berlin, Germany).

Sponsors:  CECAM, Psi-k and Fritz Haber Institute of the Max Planck Society (FHI), Berlin, Germany.

Summary

The workshop “Quantum-chemistry methods for materials science” was held at Lausanne, Switzerland from Nov 08th to 10th 2017. In total, 22 participants from Europe, USA, and China attended the workshop. The workshop stimulated an interdisciplinary exchange of ideas and knowledge about the development of advanced electronic-structure methods transferring from chemistry, solid-state physics, and materials science.
Continue reading Scientific report on the CECAM/Psi-K workshop on “Quantum-chemistry methods for materials science”