Publications related to Workflow Engineering in Materials Design within the BATTERY 2030+Project

An aircraft assembly process formalism and verification method based on semantic modeling and MBSE

Dimitrios Kyritsis, Jinzhi Lu, Xiaochen Zheng

The aircraft assembly system is highly complex involving different stakeholders from multiple domains. The design of such a system requires comprehensive consideration of various industrial scenarios aiming to optimize key performance indicators. Tradition ...

Elsevier Sci Ltd2024

A diversity-driven discovery of potential nanoporous materials for energy-related applications

Sauradeep Majumdar

The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...

EPFL2024

NBI optimization on SMART and implications for scenario development

Mario Ludovico Podesta, Francesca Maria Poli

The SMall Aspect Ratio Tokamak (SMART) under commissioning at the University of Seville, Spain, aims to explore confinement properties and possible advantages in confinement for compact/spherical tokamaks operating at negative vs. positive triangularity. T ...

Iop Publishing Ltd2024

Exciton migration in two-dimensional materials

Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By performing real-time simu ...

Nature Portfolio2024

Generalizing Bulk-Synchronous Parallel Processing for Data Science: From Data to Threads and Agent-Based Simulations

Zilu Tian

Agent-based simulations have been widely applied in many disciplines, by scientists and engineers alike. Scientists use agent-based simulations to tackle global problems, including alleviating poverty, reducing violence, and predicting the impact of pandem ...

EPFL2023

CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Wanda Andreoni, Fabio Pietrucci, Changru Ma

Absorption in amine solutions is a well-established advanced technology for CO2 capture. However, the fundamental aspects of the chemical reactions occurring in solution still appear to be unclear. Our previous investigation of aqueous monoethanolamine (ME ...

2023

Generalizing Bulk-Synchronous Parallel Processing for Data Science: From Data to Threads and Agent-Based Simulations

Christoph Koch, Val Tannen, Zilu Tian, Peter Lindner

We generalize the bulk-synchronous parallel (BSP) processing model to make it better support agent-based simulations. Such simulations frequently exhibit hierarchical structure in their communication patterns which can be exploited to improve performance. ...

2023

Thermal Design of a Medium Voltage Modular Multilevel Converter Cell

Drazen Dujic, Yanick Patrick Frei

This paper presents the cooling concept for a medium voltage modular multilevel converter cell. To optimize power density, the metallic enclosure is used to dissipate the heat generated by semiconductor losses, while maintaining maximum temperatures below ...

New York2023

Reinforcement learning approach to control an inverted pendulum: A general framework for educational purposes

Jesus Sanchez Rodriguez

Machine learning is often cited as a new paradigm in control theory, but is also often viewed as empirical and less intuitive for students than classical model-based methods. This is particularly the case for reinforcement learning, an approach that does n ...

PUBLIC LIBRARY SCIENCE2023

Reproducibility Dataset for CRYOWRF v1.0

Michael Lehning, Varun Sharma, Franziska Gerber

This repository contains data required for reproducibility of the results to be published in the associated manuscript. Apart from reproducibility, the attached datasets also serve as templates for new users to adopt CRYOWRF in their research. The datasets ...

2023

lifex-ep: a robust and efficient software for cardiac electrophysiology simulations

Alfio Quarteroni, Francesco Regazzoni, Marco Fedele, Stefano Pagani

Background: Simulating the cardiac function requires the numerical solution of multi-physics and multi-scale mathematical models. This underscores the need for streamlined, accurate, and high-performance computational tools. Despite the dedicated endeavors ...

BMC2023

RUM: Reconfigurable Umbrella Mesh

Mark Pauly, Uday Kusupati, Florin Isvoranu, Seiichi Eduardo Suzuki Erazo

We propose Reconfigurable Umbrella Meshes (RUMs), a new class of preassembled deployable structures. A RUM has a compact rest state that can be easily altered to deploy into different bending-active 3D target shapes. RUMs consist of elastic beams and rigid ...

De Gruyter2023

A Depth-Averaged Material Point Method for Shallow Landslides: Applications to Snow Slab Avalanche Release

Bertil Trottet, Johan Alexandre Philippe Gaume, Denis Aloyse Joseph Steffen, Lars Kristoffer Uhlen Blatny, Louis Marie Cédric Guillet

Shallow landslides pose a significant threat to people and infrastructure. Despite significant progress in the understanding of such phenomena, the evaluation of the size of the landslide release zone, a crucial input for risk assessment, still remains a c ...

AMER GEOPHYSICAL UNION2023

Advancing first principle-based molecular dynamics of biological systems with machine learning

François Louis Mouvet

Molecular dynamics (MD) simulations have emerged as a transformative approach to analyse molecular systems at the atomic level, offering valuable insights into complex biological processes. Many biological phenomena can only accurately be described by inco ...

EPFL2023

Acoustofluidic large-scale mixing for enhanced microfluidic immunostaining for tissue diagnostics

Martinus Gijs, Diego Gabriel Dupouy, Muaz Salama Abdelmonem Draz

The usage of microfluidics for automated and fast immunoassays has gained a lot of interest in the last decades. This integration comes with certain challenges, like the reconciliation of laminar flow patterns of micro-scale systems with diffusion-limited ...

ROYAL SOC CHEMISTRY2023

STEPS 4.0: Fast and memory-efficient molecular simulations of neurons at the nanoscale

Felix Schürmann, James Gonzalo King, Christos Kotsalos, Pramod Shivaji Kumbhar, Iain Hepburn, Weiliang Chen, Tristan Mathieu Carel, Samuel Marie A Melchior, Omar Awile, Baudouin Paul Michel Maria Joseph Del Marmol, Alessandro Cattabiani, Giacomo Castiglioni, Nicola Cantarutti

Recent advances in computational neuroscience have demonstrated the usefulness and importance of stochastic, spatial reaction-diffusion simulations. However, ever increasing model complexity renders traditional serial solvers, as well as naive parallel imp ...

FRONTIERS MEDIA SA2022

A semantic-driven tradespace framework to accelerate aircraft manufacturing system design

Dimitrios Kyritsis, Jinzhi Lu, Xiaochen Zheng

During the design phase of an aircraft manufacturing system, different industrial scenarios need to be evaluated according to key performance indicators to achieve the optimal system performance. It is a highly complex process involving multidisciplinary s ...

SPRINGER2022

Analytic modelling of passive microfluidic mixers

Christophe Lallement, Jean-Michel Sallese

This paper deals with a new analytical model for microfluidic passive mixers. Two common approaches already exist for such a purpose. On the one hand, the resolution of the advection-diffusion-reaction equation (ADRE) is the first one and the closest to ph ...

AMER INST MATHEMATICAL SCIENCES-AIMS2022

Adaptive analysis-aware defeaturing

Ondine Gabrielle Chanon

Removing geometrical details from a complex domain is a classical operation in computer aided design for simulation and manufacturing. This procedure simplifies the meshing process, and it enables faster simulations with less memory requirements. However, ...

EPFL2022

A Collaborative Workflow to Automate the Design, Analysis, and Construction of Integrally-Attached Timber Plate Structures

Pierre Latteur, Yves Weinand, Aryan Rezaei Rad, Petras Vestartas, Nicolas Henry Pierre Louis Rogeau

This paper introduces a computational framework that fosters collaboration between architects, engineers, and contractors by bridging the gap between architectural design, structural analysis, and digital construction. The present research is oriented towa ...

CAADRIA2022