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.

Confirmed 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)

Thematic Einstein Semester

The workshop is part of the Thematic Einstein Semester: Mathematics for Quantum Technologies (Summer 2024) funded by the Cluster of Excellence MATH+ and the Einstein Foundation Berlin.


Please click the button below for a draft schedule.

The schedule is provided before its final version, for you to get a preview of what to expect. We do not expect big changes to the schedule at this point. However, keep in mind that there could be small changes.


On September 10, 2024 there will be a tutorial session at the Weierstrass Institute.

Tutorial 1 (morning)
Jesús Carrete Montaña (U Zaragoza)
Thermal Conductivity Calculations with the Boltzmann Transport Equation and Machine-Learning Force Fields

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 (afternoon)
Michele Simoncelli (U Cambridge)
From density-functional theory to dual wave-particle transport and device simulation

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)

Call for Abstracts

We welcome contributed talks and posters for the workshop.

Please send us a title and a short abstract for your contribution via the registration form (see button below). The abstract is limited to 1000 characters (plain text, no formulas or figures). Please indicate which type of contribution you prefer (talk or poster). As the number of contributed talks is limited, the organizers reserve the right to accept some of the presentations as posters only.

Abstract submission deadline: June 28, 2024
Notification of acceptance: July 5, 2024


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

Registration deadline (early bird): July 31, 2024
Registration deadline (normal fee): August 30, 2024

The registration fee is 150€. For registrations until July 31, 2024. The reduced registration fee is 120€ (early bird). Further information about the payment of the registration fee will be communicated by e-mail after registration.

Invited speakers and MATH+ members are exempt from the registration fee.


Scientific Workshop (September 11–13, 2024)

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

Copyright: Jörg Zägel (CC BY-SA 3.0)

Tutorials (September 10, 2024)

  • The tutorial sessions will take place in the Weierstrass lecture room (4th floor) of the Weierstrass Institute for Applied Analysis and Stochastics (WIAS).
  • Address: Mohrenstraße 39, D–10117 Berlin, Germany
  • Nearby subway stations are "U Hausvogteiplatz" (line U2), "U Museumsinsel" (line U5) and "U Stadtmitte" (lines U2 & U6).
    See 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.
  • We can provide and sponsor child care during the workshop. Please do not hesitate to contact us.

Poster Session

There will be a poster session on September 11, 2024 (afternoon).

Workshop Dinner



Contact and Further Information

Secretariat: Veronica Bove
Mohrenstraße 39
D–10117 Berlin



We gratefully acknowledge funding by the Weierstrass Insitute Berlin (WIAS), the Berlin Mathematics Research Center MATH+ and the Einstein Foundation.

WIAS MATH+ Einstein Foundation