ETSF


The ETSF is a knowledge center for theoretical spectroscopy nanotube and a network of researchers carrying out state-of-the-art research on theoretical and computational methods for studying electronic and optical properties of materials. The ETSF gathers the experience and know-how of more than 200 researchers in Europe and the United States, facilitating collaborations and rapid knowledge transfer. Highly efficient computational software plays a crucial role in bridging the gap between theoretical methods and real applications.


Forthcoming Webinars

Solving models in quantum physics is of paramount importance to understanding a variety of physical phenomena.  There are many methods that have been created to do…

Data-driven materials discovery and understanding (by Janine George )

Developments in density functional theory (DFT) calculations, their automation and therefore easier access to materials data have enabled ab initio high…

Recent blog posts

Dear All,

We are happy to announce that on June 14-18, 2021 we will hold the 2021 Virtual School on Electron-Phonon Physics and the EPW code. This is the second event of a series that started in 2018 with the…

At a time when many scientists and students are taking advantage of enforced isolation at home to learn new skills, ETSF scientists*

Job offers

2 PhD positions at U Utrech in topological materials or exciton physics/theoretical spectroscopy

We invite applications for two PhD positions at Utrecht University in first-principles modelling of topological materials or exciton physics/theoretical spectroscopy.

The research programme will be carried out in the team of Zeila Zanolli, at the Condensed Matter and Interfaces Group at the Debye Institute for Nanomaterials Science. The research concerns the use and development of advanced first-principles (ab initio) techniques to model nanoscale materials, with special focus on topological materials and applications in nanoelectronic and spintronic devices.  
Information on recent research activities can be found here: https://zeilazanolli.wordpress.com/home/

Info & Application:
https://www.uu.nl/en/organisation/working-at-utrecht-university/jobs/2-phd-positions-in-first-principles-modelling-of-topological-materials-or-exciton-physicstheoretical

 

Postdoc position in first-principles modelling of topological quantum materials

We invite applications for a Postdoctoral Research position at Utrech University in first-principles modelling of topological materials.

The research programme will be carried out in the team of Zeila Zanolli, at the Condensed Matter and Interfaces Group at the Debye Institute for Nanomaterials Science. The research concerns the use and development of advanced first-principles (ab initio) techniques to model nanoscale materials, with special focus on topological materials and applications in nanoelectronic and spintronic devices.

Information on recent research activities can be found here: https://zeilazanolli.wordpress.com/home/

Info & Application:

https://www.uu.nl/en/organisation/working-at-utrecht-university/jobs/postdoc-position-in-first-principles-modelling-of-topological-quantum-materials-10-fte

PhD grant on the multi-scale modeling of materials and devices for quantum computing

A fully funded PhD position on multi-scale modeling for quantum computing is open at CEA Grenoble, France. The PhD is expected to start autumn 2021 and lasts three years.

“Quantum computers” are expected to solve problems beyond the reach of conventional computers. In a quantum computer, the information is not simply stored as a series of “0” or “1”, but as a coherent superposition of all possible states. The preparation, coherent manipulation and measurement of such quantum states is extremely challenging. One promising option for making quantum bits is to divert silicon metal-oxide-semiconductor (MOS) transistors to trap one or a few electrons, and use their spin to store and manipulate quantum information. The CEA Grenoble designs, fabricates, and characterizes such spin “qubits”, and develops a multi-physics code, TB_Sim, for the simulation of quantum materials and devices from the nano- to mesoscopic scales.

However, a few limitations prevent modeling from being fully predictive on these devices. One of the main challenges is the description of surfaces, interfaces, and defects, which play an essential role in silicon. The aim of this thesis is, therefore, to introduce atomistic ab initio approaches such as density functional theory (DFT) in the chain of multi-scale simulations for quantum devices. The candidate will, in particular, address the connections between the atomistic and mesoscopic scales, and focus on the Si/SiO2 interface and Si/Ge qubits and their defects as an application. Our ambition is to make numerical simulation predictive even on uncharted grounds, and to integrate it at all stages of the design, fabrication, and characterization of the qubits. For that purpose, numerical experiments will be performed to confront simulation with experimental observations, to provide the “missing pieces of the puzzle” that cannot be measured directly, and to give feedback to the design. This work will be carried out in close collaboration between CEA-Leti and CEA/IRIG. The candidate will also have the opportunity to collaborate with the partners of CEA in Europe.

The position is funded by a grant from CEA (net grant: ~1600 €/month).

The candidates must have a Master degree in quantum or solid-state physics and have strong computational skills. They shall send a CV, a letter of motivation, a transcript of academic results, and two contacts for references to:

Benoît Sklénard 
CEA Grenoble/Leti 
E-mail: benoit.sklenard@cea.fr 
Tel: +33 (0)4 38 78 65 32 

and/or:

Yann-Michel Niquet
CEA Grenoble/IRIG
E-mail: yniquet@cea.fr
Tel: +33 (0)4 38 78 43 22
https://scholar.google.fr/citations?user=h02ymwoAAAAJ

More about quantum silicon in Grenoble: https://www.quantumsilicon-grenoble.eu/
More about Grenoble: http://www.grenoble-tourisme.com/en/

(also see https://www.mem-lab.fr/Documents/2021_These_L_Sim.pdf for a pdf of the annoucement.)

Recent ETSF publications

Wahib Aggoune, Klaus Irmscher, Dmitrii Nabok, Cecilia Vona; Fingerprints of optical absorption in the perovskite LaInO3: Insight…PHYSICAL REVIEW B 103, 115105, (2021).
F. Orlando, G. Fratesi, G. Onida, S. Achilli; Tailoring the magnetic ordering of the Cr4O5/Fe(001) surfaceviaa… 23, 7948-7954, (2021).
K. Lively, G. Albareda, S.A. Sato, A. Kelly, A. Rubio; Simulating Vibronic Spectra without Born-Oppenheimer Surfaces, 3074-3081, (2021).
Pin-Cheng Lin, Renan Villarreal, Simona Achilli, Harsh Bana; Doping Graphene with Substitutional Mn, ACS NANO 15, 5449-5458, (2021).