- 2D Crystals
Between 30 March and 4 April, 2017, the CA2DM hosted a series of 4 seminars in the format of an informal workshop on ab initio theories for electronic excitations and spectroscopy.
Prof. Valerio Olevano (Institut Néel, Grenoble, France) and Dr Paolo. E. Trevisanutto (CA2DM, NUS) conducted lectures that covered the state of the art in implementations of many-body perturbation theories to DFT, which is essential to accurately describe excitations, optical absorption, screening, etc. in condensed matter systems.
This was a very successful event among research staff and graduate students (with a standing-room only attendance rate) and an opportunity to expose our research team to the experience of these specialists and practitioners directly involved in developing and using the latest methods (and code) to tackle electronic interactions ab initio.
Perhaps more than ever before, modelling accurately the electronic properties of 2D, quasi 2D and nano-scale systems requires a good knowledge of the fundamentals and practical aspects of electron-electron interactions, since these crucially determine many of their even qualitative properties (screening, optical/excitonic spectrum, plasmonic response, transport, adsorption and catalytic properties, magnetism and other correlated phases, etc.).
Valerio Olevano is a developer of the ABINIT first-principles code framework, and the main developer of DP (a linear response time-dependent DFT code, www.dp-code.org) and EXC (an exciton code for the dielectric and optical properties based on the solution of the Bethe-Salpeter equation, www.bethe-salpeter.org). Paolo. E. Trevisanutto is a CA2DM senior research fellow with expertise in the development and applications of ab initio Many Body Perturbation Theory and Time Dependent Density Functional Theory (TD-DFT) methods in two dimensional materials.
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