Photoinitiated processes are not only important for understanding natural phenomena but they also play an undeniable role in the booming fields of renewable energy, material design and medicine. Excited state processes have traditionally been explained from a static point of view, delivering in some cases a biased, incorrect or even incomplete description of the former. The simulation of the dynamics of such processes is therefore fundamental for the quest to understand the chemical and physical mechanisms.
The purpose of this school is to introduce its participants to state-of-the-art methodologies for the simulation of the dynamics of processes in the excited state, following the evolution in time of photoinitiated reactions, one of the priority topics of this call.
The school will be focused in simulating the dynamics of complex molecules. Electronic ab initio or TD-DFT methods would be sketched for obtaining the electronic wavefunctions or densities, that would be afterwards quantum-mechanically propagated. Moreover, several approaches for the treatment of the nuclei will be also provided, from full quantum dynamics to mixed quantum-classical dynamics.
The course is directed at PhD students, and young researchers, beginners in the field, working in theoretical chemistry and molecular physics.
More information at: https://www.cecam.org/workshop-1542.html
The two ICPEAC satellite meetings:
- The 25th International Symposium on Ion Atom Collisions (http://atom.curtin.edu.au/isiac)
- International Symposium on (e,2e), Double Photoionization and Related Topics with the 19th International Symposium on Polarization and Correlation in Electronic and Atomic Collisions http://atom.curtin.edu.au/e2epol
still welcome abstract submissions until the end of April. The confirmed invited speakers are available at the respective Scientific Program links.
We look forward to your participation,
Alisher Kadyrov, Chair of ISIAC
Igor Bray, Chair of (e,2e)-pol
The 11th Triennial Congress of the World Association of Theoretical and Computational Chemists will be organised by Prof. Dr. Christian Ochsenfeld (Department of Chemistry, Ludwig-Maximilians-Universität, LMU, München).
It will take place from 27 August to 1 September, 2017 in Munich, Germany.
WATOC is the largest theoretical and computational conference worldwide and we expect about 1500 participants from all over the world. There will be more than 200 invited lectures, many contributed talks and posters covering a wide variety of cutting edge research topics ranging from method developments to applications, all pushing the limits of modern theoretical and computational chemistry, biochemistry, nanotechnology, and materials sciences.
Both the international advisory committee and the local scientific committee have been set up (www.watoc2017.com) and plenary and invited speakers will soon be selected.
The WATOC2017 will be held in the city center of Munich with both the plenary and parallel sessions under one roof. Munich is located centrally in Europe with the second largest airport (MUC) in Germany offering many direct international and national flights. At the same time, Munich offers safe and easy public transportation facilities.
Besides great science, Munich and its surroundings offer fascinating possibilities for both cultural and outdoor activities.
We hope that you will be able to join us in celebrating the WATOC2017 in Munich – please do subscribe early to the mailing list (http://www.watoc2017.com/newsletter.html) so you can keep posted.