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[[File:Parallel bandstructure calculation of nanostructures.png|250px|thumb]]
 
 
==Short Description==
 
==Short Description==
At the Integrated Systems Laboratory, a simulation tool has been developed to compute the sub-band energies and wave functions of nanostructures such as quantum wells, nanowires, or quantum dots. The results can be used, for example, to determine the absorption coefficient of solar cells of the transport properties of nanoscale devices. Currently, a sequential solver called ARPACK is utilized to solve the required eigenvalue problems. While this approach is good for small atomic systems, it does not properly work if the size of the structures under consideration increase beyond a certain level. Your goal in this project will be to replace the sequential solver that is implemented in our tool by a parallel one. Two packages should be tested: PARPACK, which is a parallel version of ARPACK, and FEAST, a newly developed software whose features look very promising. The source code of the simulation tool will need to be modified to allow for the usage of these two solvers. An important task will be the parallelization of the structure generation and of the atom position storage scheme.
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The goal of this project is to develop a framework for the determination of diffusion parameters of metal atoms in amorphous oxides. In the first stage of the project, you will become familiar with state-of-the-art simulation software involving density functional theory (DFT) and/or force-field based techniques. In parallel, you will learn how to deal with large data sets and how to process them efficiently by your own analysis scripts. In the second stage, you will createa framework which allows you to set up, run and analyze a large number of simulations efficiently on our in-house  HPC  clusters. In  a  third  stage  (Master’s  thesis), you will apply your  framework to a large number  of metal/oxide pairs and analyze them regarding their applicability in CBRAM applications
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==The Big Picture==
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Conductive bridging RAM (CBRAM)is an emerging(non-)volatile memory storage technology. Its operation principle relies on the repeatable formation and disruption of a metallic filament bridging an oxide layer sandwiched between two electrodes. Therein, the diffusivity of the involved metal ions in the oxide plays a crucial role by governing the rate  of growth and  dissolution  of  the  filament. The Nano-TCAD  group  has  developed  a  model  in COMSOL to simulate ON/OFF switching in CBRAM. So far, the model depends on a number of free input parameters, among them critical ones such as the diffusion coefficients of the involved species. Therefore, we aim at replacing these by values derived from DFT. Eventually, this refined model should not only help us to understand and confirm results obtained  from experimental  measurements,  but  could  also  be used  to predict  the behavior  of new,  not-yet-fabricated devices.
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===Status: Available ===
 
===Status: Available ===
: Looking for 1 Semester/Master student
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: Looking for 1 Master student
: Contact: [[:User:Mluisier | Mathieu Luisier]]
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: Interested candidates please contact: [mailto:aejan@iis.ee.ethz.ch Jan Aeschlimann] or [mailto:ducryf@iis.ee.ethz.ch Fabian Ducry]
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===Prerequisites===
 
===Prerequisites===
: Experience with linear algebra solvers is preferable
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We  are looking for a  candidate with a  general  interest  in molecular modelling techniques(no former  experience required). Basic knowledge in MATLAB and/or Python is advantageous.
 
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===Character===
 
: 20% Theory
 
: 60% Model Implementation
 
: 20% Model Verification
 
  
===Professor===
 
: [http://www.nano-tcad.ethz.ch/en/general-information/people/professors/uid/6326.html Mathieu Luisier]
 
  
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===Type of Work===
==Detailed Task Description==
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: Theory (20%), model development (30-50%), simulation & analysis (30-50%)
  
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<!-- : [http://www.iis.ee.ethz.ch/people/person-detail.html?persid=194234 Luca Benini] --->
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<!-- : [http://www.iis.ee.ethz.ch/people/person-detail.html?persid=78758 Qiuting Huang] --->
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: [http://www.iis.ee.ethz.ch/people/person-detail.html?persid=80923 Mathieu Luisier]
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<!-- : [http://www.iis.ee.ethz.ch/people/person-detail.html?persid=79172 Andreas Schenk] --->
  
 
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Revision as of 17:11, 4 September 2019

Short Description

The goal of this project is to develop a framework for the determination of diffusion parameters of metal atoms in amorphous oxides. In the first stage of the project, you will become familiar with state-of-the-art simulation software involving density functional theory (DFT) and/or force-field based techniques. In parallel, you will learn how to deal with large data sets and how to process them efficiently by your own analysis scripts. In the second stage, you will createa framework which allows you to set up, run and analyze a large number of simulations efficiently on our in-house HPC clusters. In a third stage (Master’s thesis), you will apply your framework to a large number of metal/oxide pairs and analyze them regarding their applicability in CBRAM applications

The Big Picture

Conductive bridging RAM (CBRAM)is an emerging(non-)volatile memory storage technology. Its operation principle relies on the repeatable formation and disruption of a metallic filament bridging an oxide layer sandwiched between two electrodes. Therein, the diffusivity of the involved metal ions in the oxide plays a crucial role by governing the rate of growth and dissolution of the filament. The Nano-TCAD group has developed a model in COMSOL to simulate ON/OFF switching in CBRAM. So far, the model depends on a number of free input parameters, among them critical ones such as the diffusion coefficients of the involved species. Therefore, we aim at replacing these by values derived from DFT. Eventually, this refined model should not only help us to understand and confirm results obtained from experimental measurements, but could also be used to predict the behavior of new, not-yet-fabricated devices.


Status: Available

Looking for 1 Master student
Interested candidates please contact: Jan Aeschlimann or Fabian Ducry

Prerequisites

We are looking for a candidate with a general interest in molecular modelling techniques(no former experience required). Basic knowledge in MATLAB and/or Python is advantageous.


Type of Work

Theory (20%), model development (30-50%), simulation & analysis (30-50%)


Professor

Mathieu Luisier

↑ top