Publications associées à Why Are Ionic Liquids Liquid? A Simple Explanation Based on Lattice and Solvation Energies

Publications associées (37)

Spectroscopy of two-dimensional interacting lattice electrons using symmetry-aware neural backflow transformations

Giuseppe Carleo, Jannes Willy E. Nys, Imelda Romero

Neural networks have shown to be a powerful tool to represent the ground state of quantum many-body systems, including fermionic systems. However, efficiently integrating lattice symmetries into neural representations remains a significant challenge. In th ...

NATURE PORTFOLIO2025

Estimating Rank-One Matrices with Mismatched Prior and Noise: Universality and Large Deviations

Lenka Zdeborová, Florent Gérard Krzakala

We prove a universality result that reduces the free energy of rank-one matrix estimation problems in the setting of mismatched prior and noise to the computation of the free energy for a modified Sherrington–Kirkpatrick spin glass. Our main result is an a ...

2025

A phase transition in diffusion models reveals the hierarchical nature of data

Matthieu Wyart, Alessandro Favero, Antonio Sclocchi

Understanding the structure of real data is paramount in advancing modern deep-learning methodologies. Natural data such as images are believed to be composed of features organized in a hierarchical and combinatorial manner, which neural networks capture d ...

National Academy of Sciences2025

Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes

Tomasz Poreba

Barocaloric (BC) materials provide cheaper and more energy efficient alternatives to traditional refrigerants. Some liquid alkanes were recently shown to exhibit a colossal BC effect, matching the entropy changes in commercial vapour-liquid refrigerants. D ...

Royal Soc Chemistry2023

Deep Eutectic Solvents Formed by Complex Hydrides: A New Class of Hydrogen‐Rich Liquid

Andreas Züttel, Loris Giovanni Lombardo, Thi Ha My Pham

Deep eutectic solvents (DESs) are novel mixtures that exhibit a significant depression in melting points compared to their individual components. This work finds that combining tetrabutylammonium borohydride (TBABH) with ammonia borane (AB) yields new, sta ...

Wiley2025

Growth and investigation of Argon thin films adsorbed on graphite by means of Ultrafast Electron Diffraction

Paolo Usai

Starting from our big universe to the microscopic world, phase transitions play an important role in nature. Just after the Big Bang our universe experienced multiple phase transitions, from high-temperature plasma to the matter we know today. Phase transi ...

EPFL2023

Influence of Sphericity on Surface Termination of Icosahedral Colloidal Clusters

Esther Amstad

Colloids self-organize into icosahedral clusters composed of a Mackay core and an anti-Mackay shell under spherical confinement to minimize the free energy. This study explores the variation of surface arrangements of colloids in icosahedral clusters, focu ...

Wiley-V C H Verlag Gmbh2023

Metal Catalysts for the Electrochemical Reduction of CO2

Cedric David Koolen

The world by and large has adopted the The Paris Agreement, which commits any signing party to cut greenhouse emissions drastically and prevent global heating above 2 °C beyond pre-industrial levels. For this ambitious goal to be met, ratifying states need ...

EPFL2023

Information Spectrum Converse for Minimum Entropy Couplings and Functional Representations

Yanina Yurina Shkel, Anuj Kumar Yadav

Given two jointly distributed random variables (X,Y), a functional representation of X is a random variable Z independent of Y, and a deterministic function g(⋅,⋅) such that X=g(Y,Z). The problem of finding a minimum entropy functional representation is kn ...

2023

Experimental Method to Distinguish between a Solution and a Suspension

Francesco Stellacci, Quy Ong Khac, Paulo Henrique Jacob Silva, Xufeng Xu, Ting Mao

Dispersion of objects in a fluid phase can be classified as solutions (Gibbs free energy of mixing, Delta G(mix) < 0) or suspensions (Delta G(mix) > 0) depending on their thermodynamic stability. Small objects tend to form solutions, larger ones suspension ...

WILEY2022

A complete description of thermodynamic stabilities of molecular crystals

Venkat Kapil, Edgar Albert Engel

Predictions of relative stabilities of (competing) molecular crystals are of great technological relevance, most notably for the pharmaceutical industry. However, they present a long-standing challenge for modeling, as often minuscule free energy differenc ...

National Academy of Sciences2022

Molten globule-like transition state of protein barnase measured with calorimetric force spectroscopy

Sebastian James Davis

Understanding how proteins fold into their native structure is a fundamental problem in biophysics, crucial for protein design. It has been hypothesized that the formation of a molten globule intermediate precedes folding to the native conformation of glob ...

National Academy of Sciences2022

Predicting hot-electron free energies from ground-state data

Michele Ceriotti, Federico Grasselli, Chiheb Ben Mahmoud

Machine-learning potentials are usually trained on the ground-state, Born-Oppenheimer energy surface, which depends exclusively on the atomic positions and not on the simulation temperature. This disregards the effect of thermally excited electrons, that i ...

AMER PHYSICAL SOC2022

Electric metal contacts to monolayer blue phosphorus: electronic and chemical properties

Xiao Zhou

The contact nature when monolayer blue phosphorus (blueP) interfaces with three transition metal electrodes (i. e., Pd, Ir, and Pt) was unraveled by the ab initio density functional theory calculations. Specifically, n-type Schottky contact is observed for ...

ELSEVIER2022

Failure mechanism of fine-grained soil-structure interface for energy piles

Lyesse Laloui, Elena Ravera

The response of the soil-structure interface can significantly affect the performance of any geotechnical structure. Thermal cycles are a new factor that influence the response to all structures that have an energy function in addition to the structural on ...

2022

Site-selective overgrowth of Ag nanocrystals by Polyvinylpyrrolidone-mediated atom deposition by Ostwald ripening

Francesco Stellacci, Paulo Henrique Jacob Silva

The growth modulation of metal nanocrystals (NCs) by Ostwald ripening (OR) involves control of the relocation of matter by diffusional mass transfer from the dissolution of small nanocrystals (SNCs) towards large nanocrystals whose surface energy is lower. ...

ELSEVIER2022

Distributed Temperature Alarm System Based on Incoherent Optical Time-Domain Reflectometry and Side Air-Hole Optical Fibers

Luc Thévenaz, Marcelo Alfonso Soto Hernandez, Yuting Yang

This paper proposes and experimentally validates a distributed temperature alarm system based on carbon dioxide (CO2)-filled 18 m side air-holes fiber (SAHF), interrogated through a conventional (incoherent) optical time-domain reflectometer (OTDR). Custom ...

IEEE Institute of Electrical and Electronics Engineers2024

Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution

Philip Robin Loche

Although important for atmospheric processes and gas-phase catalysis, very little is known about the hydration state of ions in the vapor phase. Here we study the evaporation energetics and kinetics of a chloride ion from liquid water by molecular dynamics ...

NATURE PORTFOLIO2022

Discrete groups of packed, non-positively curved, Gromov hyperbolic metric spaces

Nicola Cavallucci

We prove a quantitative version of the classical Tits' alternative for discrete groups acting on packed Gromov-hyperbolic spaces supporting a convex geodesic bicombing. Some geometric consequences, as uniform estimates on systole, diastole, algebraic entro ...

Springer2024

Spectroscopy and dynamics at liquid water interfaces

Bruno Credidio

This thesis is a detailed description of three experimental investigations on aqueous interfaces. All projects made use of the microjet technology or the more recently developed flat-jet technique which enables the implementation of liquid water in vacuum ...

EPFL2022