Publications associées à Accelerating equilibrium isotope effect calculations. I. Stochastic thermodynamic integration with respect to mass

Publications associées (31)

Spectral Estimators for High-Dimensional Matrix Inference

A key challenge across many disciplines is to extract meaningful information from data which is often obscured by noise. These datasets are typically represented as large matrices. Given the current trend of ever-increasing data volumes, with datasets grow ...

EPFL2024

Error estimates for SUPG-stabilised Dynamical Low Rank Approximations

Fabio Nobile, Thomas Simon Spencer Trigo Trindade

We perform an error analysis of a fully discretised Streamline Upwind Petrov Galerkin Dynamical Low Rank (SUPG-DLR) method for random time-dependent advection-dominated problems. The time integration scheme has a splitting-like nature, allowing for potenti ...

Springer Nature Switzerland2025

The isotopic signature of U(V) during bacterial reduction

Marinella Mazzanti, Rizlan Bernier-Latmani, Radmila Faizova, Ashley Richards Brown, Margaux Camille Andréa Molinas

The two-step electron transfer during bacterial reduction of UVI to UIV is typically accompanied by mass-independent fractionation of the 238U and 235U isotopes, whereby the heavy isotope accumulates in the reduced product. However, the role of the UV inte ...

2024

Adaptive Finite Elements with Large Aspect Ratio. Application to Aluminium Electrolysis

Paride Passelli

The goal of this work is to use anisotropic adaptive finite elements for the numerical simulation of aluminium electrolysis. The anisotropic adaptive criteria are based on a posteriori error estimates derived for simplified problems. First, we consider an ...

EPFL2024

Diagenetic isotope exchange in biocalcites for paleoclimate reconstruction

Deyanira Graciela Cisneros Lazaro

The oxygen isotope compositions of fossil biocalcites, such as foraminifera, bivalves, brachiopods, and belemnites have allowed for reconstructions of sea surface and deep ocean temperatures throughout the Phanerozoic and constitute the most important reco ...

EPFL2024

Anisotropic Adaptive Finite Elements for a p-Laplacian Problem

Marco Picasso, Paride Passelli

The p-Laplacian problem -del & sdot; ((mu + |del u|(p-2))del u) = f is considered, where mu is a given positive number. An anisotropic a posteriori residual-based error estimator is presented. The error estimator is shown to be equivalent, up to higher ord ...

Walter De Gruyter Gmbh2024

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Roya Moghaddasi Fereidani

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

EPFL2024

Reliable data-driven decision-making through optimal transport

Bahar Taskesen

Decision-making permeates every aspect of human and societal development, from individuals' daily choices to the complex decisions made by communities and institutions. Central to effective decision-making is the discipline of optimization, which seeks th ...

EPFL2024

Fair real-time control of energy storage systems in active distribution networks in the presence of uncertainties

Plouton Grammatikos

The thesis explores the issue of fairness in the real-time (RT) control of battery energy storage systems (BESSs) hosted in active distribution networks (ADNs) in the presence of uncertainties by proposing and experimentally validating appropriate control ...

EPFL2024

Organic matters, but inorganic matters too: column examination of elevated mercury sorption on low organic matter aquifer material using concentrations and stable isotope ratios

Lorenz Schwab

Sorption of mercury (Hg) in soils is suggested to be predominantly associated with organic matter (OM). However, there is a growing collection of research that suggests that clay minerals and oxides are also important solid phases for the sorption of solu ...

2024

High power electrostatic beam splitter for a proton beamline

Hua Zhang, Mike Seidel

The High Intensity Proton Accelerator facility (HIPA) delivers a 590 MeV cw (50.6 MHz) proton beam with up to 1.4 MW beam power (2.4 mA) to spallation and meson production targets serving particle physics experiments and material research. The main acceler ...

2024

Random matrix methods for high-dimensional machine learning models

Antoine Philippe Michel Bodin

In the rapidly evolving landscape of machine learning research, neural networks stand out with their ever-expanding number of parameters and reliance on increasingly large datasets. The financial cost and computational resources required for the training p ...

EPFL2024

An Unbiased Method of Measuring the Ratio of Two Data Sets

Jean-Paul Richard Kneib, Huanyuan Shan

In certain cases of astronomical data analysis, the meaningful physical quantity to extract is the ratio R between two data sets. Examples include the lensing ratio, the interloper rate in spectroscopic redshift samples, and the decay rate of gravitational ...

IOP Publishing Ltd2023

Higher Order Asymptotics: Applications to Satellite Conjunction and Boundary Problems

Soumaya Elkantassi

Higher-order asymptotics provide accurate approximations for use in parametric statistical modelling. In this thesis, we investigate using higher-order approximations in two-specific settings, with a particular emphasis on the tangent exponential model. ...

EPFL2023

Reliable uncertainties: Error correlation, rotated error bars, and linear regressions in three-isotope plots and beyond

Reto Georg Trappitsch

Correlated errors of experimental data are a common but often neglected problem in physical sciences. Various tools are provided here for thorough propagation of uncertainties in cases of correlated errors. Discussed are techniques especially applicable to ...

ELSEVIER2023

Cosmological constraints with the linear point from the BOSS survey

Cheng Zhao, Huanyuan Shan

The Linear Point (LP), defined as the mid-point between the baryon acoustic oscillation (BAO) peak and the associated left dip of the two-point correlation function (2PCF), xi(s), is proposed as a new standard ruler which is insensitive to non-linear effec ...

Oxford Univ Press2023

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

David Daniel Girardier, Fabio Pietrucci, Sara Bonella

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

We Need Subject Matter Expertise to Choose and Identify Causal Estimands: Comment on "Estimands for Recurrent Event Endpoints in the Presence of a Terminal Event"

Mats Julius Stensrud, Matias Janvin

We summarize what we consider to be the two main limitations of the "Estimands for Recurrent Event Endpoints in the Presence of a Terminal Event" (Schmidli et al. 2022). First, the authors did not give detailed guidance on how to choose an appropriate esti ...

TAYLOR & FRANCIS INC2023

The role of isotope mass and transport for H-mode access in tritium containing plasmas at JET with ITER-like wall

Henri Weisen, Javier García Hernández, Marco Wischmeier, Nicola Vianello, Mikhail Maslov, Haomin Sun

The required heating power, P-LH, to access the high confinement regime (H-mode) in tritium containing plasmas is investigated in JET with ITER-like wall at a toroidal magnetic field of B-t = 1.8 T and a plasma current of I-p = 1.7 MA. PLH, also referred t ...

IOP Publishing Ltd2023

Machine Learning Security in Industry: A Quantitative Survey

Kathrin Grosse

Despite the large body of academic work on machine learning security, little is known about the occurrence of attacks on machine learning systems in the wild. In this paper, we report on a quantitative study with 139 industrial practitioners. We analyze at ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023