Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems

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On Energy Control of Modular Multilevel Converters

Owing to the advancements in the area of power electronics, efficient and flexible ac to dc conversion is made possible, bringing back into focus the idea of the dc power transmission at various voltage levels. Several technical and economical factors advo ...

EPFL2023

Data-driven approaches for non-invasive cuffless blood pressure monitoring

Clémentine Léa Aguet

Blood pressure (BP) is a crucial indicator of cardiovascular health. Hypertension is a common life-threatening condition and a key factor of cardiovascular diseases (CVDs). Identifying abnormal BP fluctuations can allow for early detection and management o ...

EPFL2023

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

Directionality-Aware Design of Embroidery Patterns

Zhenyuan Liu

Embroidery is a long-standing and high-quality approach to making logos and images on textiles. Nowadays, it can also be performed via automated machines that weave threads with high spatial accuracy. A characteristic feature of the appearance of the threa ...

2023

Pathways to enhance electrochemical CO2 reduction identified through direct pore-level modeling

Sophia Haussener, Shuo Liu, Etienne Boutin, Evan Fair Johnson

Electrochemical conversion of CO2 to fuels and valuable products is one pathway to reduce CO2 emissions. Electrolyzers using gas diffusion electrodes (GDEs) show much higher current densities than aqueous phase electrolyzers, yet models for multi-physical ...

2023

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Justin Villard

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

EPFL2023

Better Trees for Santa Claus

Etienne Michel François Bamas, Lars Rohwedder

We revisit the problem max-min degree arborescence, which was introduced by Bateni et al. [STOC'09] as a central special case of the general Santa Claus problem, which constitutes a notorious open question in approximation algorithms. In the former problem ...

Assoc Computing Machinery2023

Scanning Small-Angle X-ray Scattering of Injection-Molded Polymers: Anisotropic Structure and Mechanical Properties of Low-Density Polyethylene

Marianne Liebi, Manuel Guizar Sicairos

Injection molding is known to create a layered anisotropicmorphologyacross the sample thickness due to varying shear and cooling ratesduring the manufacturing process. In this study, scanning small-angleX-ray scattering was used to visualize and quantify t ...

AMER CHEMICAL SOC2023

Predicting Ion Diffusion from the Shape of Potential Energy Landscapes

Berend Smit, Senja Dominique Barthel, Amber Kashan Mace

We present an efficient method to compute diffusion coefficients of multiparticle systems with strong interactions directly from the geometry and topology of the potential energy field of the migrating particles. The approach is tested on Li-ion diffusion ...

Amer Chemical Soc2023

Effects of Head-Tracking Artefacts on Externalization and Localization in Azimuth With Binaural Wearable Devices

Hervé Lissek, Gilles André Courtois, Vincent Pierre Olivier Grimaldi

Head tracking combined with head movements have been shown to improve auditory externalization of a virtual sound source and contribute to the performance in localization. With certain technically constrained head-tracking algorithms, as can be found in we ...

Audio Engineering Soc2023

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