Applied Mathematics and Simulation for Semiconductor Devices
(AMaSiS 2024)

September 10–13, 2024

AMaSiS 2024:
Applied Mathematics and Simulation for Semiconductor Devices

September 10–13, 2024
Weierstrass Institute Berlin

Scientific Scope

AMaSiS 2024 is an interdisciplinary workshop dedicated to the mathematical modeling and numerical simulation of semiconductor devices. AMaSiS 2024 aims at bringing together experts from mathematics, physics, engineering, and materials science for discussion of the following topics:

Computational materials science and electronic structure theory
Quantum and semiclassical transport: theory, analysis and numerical methods
Simulation of semiconductor devices: spin-qubit devices, transistors, laser diodes, LEDs, solar cells, etc.
Upscaling from quantum mechanics and particle systems to continuum scale models

The workshop is planned as a single-track program that will also include a poster session.

Thank You!

Thank you for joining AMaSiS 2024 and contributing to this exciting program!

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Program

The schedule for the scientific workshop (incl. list of posters) and tutorials can be found here:

Book of Abstracts

Please find the book of abstracts including all relevant information about the workshop here:

Invited Speakers

Dilara Abdel (WIAS Berlin)
Urs Aeberhard (Fluxim AG, ETH Zürich)
Zlatan Akšamija (University of Utah)
Chris Anderson (UCLA, Los Angeles)
Guiseppe Alì (U Calabria)
Félix Beaudoin (Nanoacademic Technologies, Montreal)
Nicola Courtier (U Oxford)
Marcel Filoche (Institut Langevin, ESPCI, Paris)
Maxime Herda (U Lille)
Ansgar Jüngel (TU Vienna)
Christoph Jungemann (RTWH Aachen)
Evelyne Knapp (ZHAW Zürich)
Mathieu Luisier (ETH Zürich)
Costanza Lucia Manganelli (IHP Microelectronics, Frankfurt/Oder)
Cristina Medina Bailón (U Granada)
Nella Rotundo (U Florence)
Alberto Tibaldi (Politecnico di Torino)
William Vandenberghe (U Texas, Dallas)
Bernd Witzigmann (FAU Erlangen-Nuremberg)

Registration

Each participant (speaker, poster presenter or conference attendant) is requested to register online.

Registration deadline (workshop):	September 2, 2024
Registration deadline (tutorials):	September 8, 2024

The registration desk will be open on Tuesday (September 10) and Wednesday (September 11) starting from 8.15 am.

Tutorials

On September 10, 2024 there will be two tutorial sessions at Humboldt University (Hausvogteiplatz 5–7).

Tutorial 1 (time: 9.15 – 12.45)
Jesús Carrete Montaña (U Zaragoza)
Thermal Conductivity Calculations with the Boltzmann Transport Equation and Machine-Learning Force Fields

Abstract:
Solutions of the Boltzmann transport equation (BTE) for phonons with inputs from density-functional-theory (DFT) calculations have been successful at providing predictive, parameter-free estimates of the thermal conductivity of many pristine and defect-laden semiconductors, albeit at very significant computational cost. Machine-learning force fields, through their ability to provide results with DFT-like quality in a small fraction of the time, can revolutionize that situation. This tutorial will first guide the audience through all the steps of a conventional DFT+BTE calculation, followed by the active learning of a descriptor-based neural-network potential. That force field will then be validated by reproducing the ab-initio results.

Tutorial 2 (time: 14.00 – 17.30)
Michele Simoncelli (U Cambridge)
From density-functional theory to dual wave-particle transport and device simulation

Abstract:
Quantitative theoretical predictions for charge and heat transport phenomena in semiconductors are crucial to design devices for energy conversion or management. We present recent advances in Quantum ESPRESSO [1], an open-source density-functional-theory (DFT) software, that allows us to simulate from first principles the thermoelectric properties of semiconductors. After discussing how to compute the band structure of electrons and phonons, we introduce the framework needed to quantify their interactions. We discuss how these quantitites enter into the microscopic Wigner formulation for transport in solids [2], which enables us to predict the transport coefficients in materials ranging from crystals to glasses [2,3], and with variable level of doping [4]. Finally, we show that microscopic transport equations for electron and phonon transport can be coarse-grained into mesoscopic viscous equations useful to design devices. These are partial differential equations that generalize Ohm's [5] or Fourier's [6] laws describing not only diffusive transport but also fluid-like phenomena measured in recent, pioneering experiments [7].

[1] Giannozzi et al., J. Phys. Condens. Matter 46 (2017)
[2] Simoncelli, Marzari and Mauri, Phys. Rev. X 12 (2022)
[3] Harper, Iwanowski, Payne and Simoncelli, Physical Review Materials 8 (2024)
[4] Cepellotti, Coulter, Johansson, Fedorova and Kozinsky, J. Phys. Mater. 5 (2022)
[5] Gurzhi, Sov. Phys. Usp. 11 (1965)
[6] Simoncelli, Marzari and Cepellotti, Phys. Rev. X 10 (2020)
[7] Jaoui et al., Phys. Rev. X 12 (2022)

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Venue

Tutorials (September 10, 2024)

The tutorial sessions will take place in a building of the Humboldt University of Berlin.
Address: Hausvogteiplatz 5–7, D–10117 Berlin, Germany
Lecture hall 007
Closest subway station is "U Hausvogteiplatz" (line U2).
See www.bvg.de for more information about public transport in Berlin (routes/tickets).
The venue is wheel-chair accessible by appointment. Kindly inform us about any particular needs.

Enlarge map.

Scientific Workshop (September 11–13, 2024)

The workshop will take place in the headquarters of the Leibniz Association.
Address: Chausseestraße 111, D–10115 Berlin, Germany
Lecture room "Hannover"
Nearby subway stations are "U Naturkundemuseum" (line U6) and "S Nordbahnhof" (lines S1, S2 & S25).
See www.bvg.de for more information about public transport in Berlin (routes/tickets).

Enlarge map.

Poster Session

There will be a poster session on September 11, 2024 (start: 5:30 pm) in the Atrium of the Leibniz Headquarters building (Chausseestr. 111).

Poster should be printed in format DIN A0 portrait.

Prior to the poster session, there will be a poster pitching session (start: 4:55 pm) in the lecture hall. Poster presenters are asked to prepare a one-slide presentation (PDF only) to advertise the key contributions of their posters. The presentation time is limited to two minutes per presenter. Poster presenters are asked to check their e-mail inbox for further instructions.