Publications related to Constant-pressure nested sampling with atomistic dynamics

Related publications (27)

Vapor compression and energy dissipation in a collapsing laser-induced bubble

Mohamed Farhat, Danail Obreschkow, Davide Bernardo Preso, Armand Baptiste Sieber

The composition of the gaseous phase of cavitation bubbles and its role on the collapse remains to date poorly understood. In this work, experiments of single cavitation bubbles in aqueous ammonia serve as a novel approach to investigate the effect of the ...

Aip Publishing2024

Field-controlled multicritical behavior and emergent universality in fully frustrated quantum magnets

Bruce Normand

Phase transitions in condensed matter are a source of exotic emergent properties. We study the fully frustrated bilayer Heisenberg antiferromagnet to demonstrate that an applied magnetic field creates a previously unknown emergent criticality. The quantum ...

Nature Portfolio2024

Frustrated magnets in the limit of infinite dimensions: Dynamics and disorder-free glass transition

Achille Mauri

We study the statistical mechanics and the equilibrium dynamics of a system of classical Heisenberg spins with frustrated interactions on a d -dimensional simple hypercubic lattice, in the limit of infinite dimensionality d -> infinity . In the analysis we ...

Amer Physical Soc2024

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

Local vs. cooperative: Unraveling glass transition mechanisms with SEER

Matthieu Wyart, Wencheng Ji

Which phenomenon slows down the dynamics in supercooled liquids and turns them into glasses is a long-standing question of condensed matter. Most popular theories posit that as the temperature decreases, many events must occur in a coordinated fashion on a ...

National Academy of Sciences2024

DBFS: Dynamic Bitwidth-Frequency Scaling for Efficient Software-defined SIMD

Giovanni Ansaloni, Alexandre Sébastien Julien Levisse, Flavio Ponzina, Pengbo Yu

Machine learning algorithms such as Convolutional Neural Networks (CNNs) are characterized by high robustness towards quantization, supporting small-bitwidth fixed-point arithmetic at inference time with little to no degradation in accuracy. In turn, small ...

IEEE2024

Filiform Variable Stiffness Technologies for Medical Robotics

Yegor Piskarev

In recent years, soft robotics has surged in applications like wearables, drones, smart fabrics, and medical instruments. Due to their compliance, these devices excel in tasks demanding dexterity and adaptability, such as manipulation, locomotion, crash re ...

EPFL2024

Primary and secondary order parameters in the fully frustrated transverse-field Ising model on the square lattice

Frédéric Mila

Using quantum Monte Carlo simulations and field-theory arguments, we study the fully frustrated transversefield Ising model on the square lattice for the purpose of quantitatively relating two different order parameters to each other. We consider a "primar ...

Amer Physical Soc2024

Advanced control strategies to exploit the hydropower potential enhancing ancillary services provision to the power system

Francesco Gerini

The European Union's Green Deal aims for a 55% reduction in greenhouse gas emissions by 2030. To reach this goal, a massive integration of Renewable Energy Sources (RES) into the power grid is necessary. As RES become a large part of the electricity genera ...

EPFL2024

Fly-Swat or Cannon? Cost-Effective Language Model Choice via Meta-Modeling

Robert West, Maxime Jean Julien Peyrard, Marija Sakota

Generative language models (LMs) have become omnipresent across data science. For a wide variety of tasks, inputs can be phrased as natural language prompts for an LM, from whose output the solution can then be extracted. LM performance has consistently be ...

Assoc Computing Machinery2024

'Fraternal-twin' ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

Michele Kotiuga

In ferroelectric switching, an applied electric field switches the system between two polar symmetry-equivalent states. In this work, we use first-principles calculations to explore the polar states of hydrogen-doped samarium nickelate (SNO) at a concentra ...

Iop Publishing Ltd2024

Heuristic Estimation of the Vacuum Energy Density of the Universe: Part II-Analysis Based on Frequency Domain Electromagnetic Radiation

Farhad Rachidi-Haeri, Marcos Rubinstein

In Part I of this paper, an inequality satisfied by the vacuum energy density of the universe was derived using an indirect and heuristic procedure. The derivation is based on a proposed thought experiment, according to which an electron is accelerated to ...

2024

Green hydrogen production using Shewanella oneidensis MR-1 bioanode and cuprous oxide-based photocathode

Michele Morgante

In recent years, many efforts have been made to find alternative renewable energy sources that can ideally replace the use of fossil fuels in all aspects. One of the new emerging energy technologies is the bioelectrochemical system, of which two types are ...

EPFL2024

A Method of Moments Estimator for Interacting Particle Systems and their Mean Field Limit

Andrea Zanoni

We study the problem of learning unknown parameters in stochastic interacting particle systems with polynomial drift, interaction, and diffusion functions from the path of one single particle in the system. Our estimator is obtained by solving a linear sys ...

Siam Publications2024

Ion Spectroscopy Reveals Structural Difference for Proteins Microhydrated by Retention and Condensation of Water

Oleg Boyarkine, Andrei Zviagin

Protein ubiquitin in its +7 charge state microhydrated by 5 and 10 water molecules has been interrogated in the gas phase by cold ion UV/IR spectroscopy. The complexes were formed either by condensing water onto the unfolded bare proteins in a temperature- ...

Amer Chemical Soc2024

Thermal transport of glasses via machine learning driven simulations

Federico Grasselli, Paolo Pegolo

Accessing the thermal transport properties of glasses is a major issue for the design of production strategies of glass industry, as well as for the plethora of applications and devices where glasses are employed. From the computational standpoint, the che ...

Frontiers Media Sa2024

Computational Studies on the Stability of Organic-Inorganic Hybrid Halide Lead Perovskites

Mathias Dankl

Perovskite-based solar cells are currently the most rapidly advancing photovoltaic technology but concerns about their long-term stability are still impeding full-scale commercialization. This thesis provides computational insights into some of the stabili ...

EPFL2024

Computational fluid dynamics simulations of the heat transfer properties of graphene-based nanolubricants and application to hydrodynamic lubrication

Roberto Guarino

In this paper, we consider experimental data available for graphene-based nanolubricants to evaluate their convective heat transfer performance by means of computational fluid dynamics (CFD) simulations. Single-phase models with temperature-dependent prope ...

Aip Publishing2024

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

Possible restoration of particle-hole symmetry in the 5/2-quantized Hall state at small magnetic field

Frédéric Mila, Loïc Jean Pierre Herviou

Motivated by the experimental observation of a quantized 5/2 thermal conductance at filling nu = 5/2, a result incompatible with both the Pfaffian and the anti-Pfaffian states, we have pushed the expansion of the effective Hamiltonian of the 5/2-quantized ...

AMER PHYSICAL SOC2023