Adventures in Flatland
Cancelled
Event details
| Date | 22.12.2016 |
| Hour | 16:00 › 17:00 |
| Speaker |
Prof. Nicola Marzari Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL |
| Location |
Zeuzier
|
| Category | Conferences - Seminars |
"Understand, predict, and design" has been for a long time the informal mission statement of our group; since occasionally we do follow through on this, I'll take the chance to illustrate this paradigm with case studies taken from the burgeoning field of 2D materials. I'll discuss in particular the breakdown of the established but approximate picture of phonons being the heat carriers in crystals [1]; the engineering of Berry phases in nanostructures to create 1D electron and hole wires [2]; and our ongoing efforts to exfoliate all known 3D materials - this last made possible and straightforward by the development of our AiiDA materials' informatics platform [3].
[1] A. Cepellotti and N. Marzari, Thermal transport in crystals as a kinetic theory of relaxons, arXiv:1603.02608 (2016).
[2] M. Gibertini, G. Pizzi, N. Marzari, Engineering polar discontinuities in honeycomb lattices,Nature Communications 5, 5157 (2014); M. Gibertini and N. Marzari, Emergence of one-dimensional wires of free carriers in transition-metal dichalcogenides nanostructures, Nano Letters 15, 6229-38(2015).
[3] G. Pizzi et al., AiiDA: automated interactive infrastructure and database for computational science,Comp. Mat. Sci. 111, 218 (2016); http://aiida.net.
[1] A. Cepellotti and N. Marzari, Thermal transport in crystals as a kinetic theory of relaxons, arXiv:1603.02608 (2016).
[2] M. Gibertini, G. Pizzi, N. Marzari, Engineering polar discontinuities in honeycomb lattices,Nature Communications 5, 5157 (2014); M. Gibertini and N. Marzari, Emergence of one-dimensional wires of free carriers in transition-metal dichalcogenides nanostructures, Nano Letters 15, 6229-38(2015).
[3] G. Pizzi et al., AiiDA: automated interactive infrastructure and database for computational science,Comp. Mat. Sci. 111, 218 (2016); http://aiida.net.
Practical information
- General public
- Free
Organizer
- Prof. Berend Smit, Dr Kyriakos Stylianou
Contact
- Evelyn Ludi