Publications associées à Extent-based incremental identification of reaction systems using concentration and calorimetric measurements

Optimal Depth of Discharge for Electric Batteries with Robust Capacity-Shrinkage Estimator

A user’s benefit from the energy stored in a battery over its lifetime depends on the time-varying characteristics of the battery, which are in turn affected by the chosen usage behavior. Both the capacity shrinkage and the number of lifetime cycles are st ...

2024

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

Fabio Pietrucci, Sara Bonella, David Daniel Girardier

Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...

Aip Publishing2023

OASIS: Optimisation-based Activity Scheduling with Integrated Simultaneous choice dimensions

Michel Bierlaire, Janody Pougala, Timothy Michael Hillel

Activity-based models offer the potential of a far deeper understanding of daily mobility behaviour than trip-based models. However, activity-based models used both in research and practice have often relied on applying sequential choice models between sub ...

2023

The elliptical Ornstein-Uhlenbeck process

Sofia Charlotta Olhede

We introduce the elliptical Ornstein-Uhlenbeck (OU) process, which is a generalisation of the well-known univariate OU process to bivariate time series. This process maps out elliptical stochastic oscillations over time in the complex plane, which are obse ...

INT PRESS BOSTON, INC2023

Grand canonical Brownian dynamics simulations of adsorption and self-assembly of SAS-6 rings on a surface

Pierre Gönczy, Niccolo Banterle

The Spindle Assembly Abnormal Protein 6 (SAS-6) forms dimers, which then self-assemble into rings that are critical for the nine-fold symmetry of the centriole organelle. It has recently been shown experimentally that the self-assembly of SAS-6 rings is st ...

AIP Publishing2023

Reactivity of Bromine Radical with Dissolved Organic Matter Moieties and Monochloramine: Effect on Bromate Formation during Ozonation

Urs von Gunten, Sung Eun Lim

Bromine radical (Br center dot) has been hypothesized to be a key intermediate of bromate formation during ozonation. Once formed, Br center dot further reacts with ozone to eventually form bromate. However, this reaction competes with the reaction of Br c ...

AMER CHEMICAL SOC2023

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

Unbiased Likelihood Estimation of Wright–Fisher Diffusion Processes

Fabio Nobile

In this paper we propose a Monte Carlo maximum likelihood estimation strategy for discretely observed Wright–Fisher diffusions. Our approach provides an unbiased estimator of the likelihood function and is based on exact simulation techniques that are of s ...

Springer Cham2024

Development of next-generation microfluidic systems for enhanced, faster, and cost-effective immunoassays for tissue diagnostics - Ac electrothermal flow & Acoustofluidics

Muaz Salama Abdelmonem Draz

The application of microfluidics in the field of surface-based assays and more specifically, the spatial molecular profiling of tumor tissues has gained a lot of interest, especially with the increased interest in personalized medicine and targeted therapy ...

EPFL2023

Understanding the growth mechanism of BaZrS3 chalcogenide perovskite thin films from sulfurized oxide precursors

Anna Fontcuberta i Morral, Elias Zsolt Stutz, Andrea Giunto, Santhanu Panikar Ramanandan, Iléane Tiphaine Françoise Marie Lefevre, Mirjana Dimitrievska

Barium zirconium sulfide (BaZrS3) is an earth-abundant and environmentally friendly chalcogenide perovskite with promising properties for various energy conversion applications. Recently, sulfurization of oxide precursors has been suggested as a viable sol ...

IOP Publishing Ltd2023

Efficient AC electrothermal flow (ACET) on-chip for enhanced immunoassays

Martinus Gijs, Diego Gabriel Dupouy, Muaz Salama Abdelmonem Draz

Biochemical reaction rates in microfluidic systems are known to be limited by the diffusional transport of reagents, leading often to lowered sensitivity and/or longer detection times in immunoassays. Several methods, including electrically powering electr ...

ROYAL SOC CHEMISTRY2023

Kinetic Network Modeling of the Catalytic Upgrading of Biomass's Acetate Fraction to Aromatics

Jeremy Luterbacher, Jher Hau Yeap, Bartosz Rozmyslowicz, Ahmed Mohamed Ibrahim Elkhaiary

The acetate fraction is the fourth most abundant fraction by weight in many plant species and can be easily extracted as acetic acid in high yields. We have previously shown that acetic acid obtained from steam pretreated beech wood could be upgraded in a ...

Amer Chemical Soc2023

Oxidative Water Treatment: The Track Ahead

Urs von Gunten, Yun Ho Lee

Chemical oxidation has been applied in municipal water treatment for more than a century, initially for disinfection. In the early decades, chlorine disinfection was adopted in the fight against waterborne disease. However, the oxidative properties of chlo ...

2023

Statistical Emulation of Neural Simulators: Application to Neocortical L2/3 Large Basket Cells

Idan Segev, Werner Alfons Hilda Van Geit, Oren Amsalem

Many scientific systems are studied using computer codes that simulate the phenomena of interest. Computer simulation enables scientists to study a broad range of possible conditions, generating large quantities of data at a faster rate than the laboratory ...

FRONTIERS MEDIA SA2022

Filtered data and eigenfunction estimators for statistical inference of multiscale and interacting diffusion processes

Andrea Zanoni

We study the problem of learning unknown parameters of stochastic dynamical models from data. Often, these models are high dimensional and contain several scales and complex structures. One is then interested in obtaining a reduced, coarse-grained descript ...

EPFL2022

Lower-bounds on the Bayesian Risk in Estimation Procedures via f–Divergences

Michael Christoph Gastpar, Adrien Vandenbroucque, Amedeo Roberto Esposito

We consider the problem of parameter estimation in a Bayesian setting and propose a general lower-bound that includes part of the family of f-Divergences. The results are then applied to specific settings of interest and compared to other notable results i ...

2022

The influence of sulfate addition on hydration kinetics and C-S-H morphology of C3S and C3S/C(3)A systems

Karen Scrivener, Franco Alberto Zunino Sommariva

A comprehensive understanding of hydration kinetics, sulfate requirement and phase assemblage of Portland cement is crucial for further optimization of early-age performance, especially when part of cement is replaced by mineral additions in blended cement ...

Pergamon-Elsevier Science Ltd2022

Multi-Level Monte Carlo Methods for Uncertainty Quantification and Risk-Averse Optimisation

Sundar Subramaniam Ganesh

This work aims to study the effects of wind uncertainties in civil engineering structural design. Optimising the design of a structure for safety or operability without factoring in these uncertainties can result in a design that is not robust to these per ...

EPFL2022

Imaging of Chemical Kinetics at the Water–Water Interface in a Free-Flowing Liquid Flat-Jet

Andreas Osterwalder, Bruno Credidio

We present chemical kinetics measurements of the luminol oxidation chemiluminescence (CL) reaction at the interface between two aqueous solutions, using liquid jet technology. Free-flowing liquid microjets are a relatively recent development that have foun ...

2022

Hydration and mixture design of calcined clay blended cements: review by the RILEM TC 282-CCL

Mohsen Ben Haha, Karen Scrivener, François Henri Avet, Franco Alberto Zunino Sommariva, Anuj Parashar, Sreejith Krishnan, Yuvaraj Dhandapani

The RILEM technical committee 282-CCL: Calcined Clays as Supplementary Cementitious Materials, investigates all the aspects related to calcined clays, from clay exploration and characterization to calcination process, hydration reactions and concrete prope ...

SPRINGER2022