Concept

Table of thermodynamic equations

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Spectral and thermodynamic properties of interacting electrons with dynamical functionals

Tommaso Chiarotti

Empowered by ever-increasing computational power and algorithmic developments, electronic-structure simulations continue to drive research and innovation in materials science. In this context, ab-initio calculations offer an unbiased platform for the under ...

EPFL2023

Effect of Matrix Composition and Thermodynamic Properties on Virus Persistence in Respiratory Droplets

Athanasios Nenes, Tamar Kohn, Aline Laetitia Schaub, Shannon Christa David, Laura José Costa Henriques

It is now well-established that respiratory viruses can be transmitted by the airborne route, yet the parameters modulating the infectivity of viruses in aerosol particles are poorly understood. Through a combined experimental and computational approach, w ...

2023

Unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials

Nicola Marzari, Tommaso Chiarotti, Andrea Ferretti

Dynamical potentials appear in many advanced electronic-structure methods, including self-energies from many-body perturbation theory, dynamical mean-field theory, electronic-transport formulations, and many embedding approaches. Here, we propose a novel t ...

AMER PHYSICAL SOC2022

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 ...

NATL ACAD SCIENCES2022

Cavity Quantum Electrodynamics with strongly correlated fermions

Kevin Etienne Robert Roux

This thesis presents the first cavity quantum electrodynamics experiments performed with a degenerate gas of

^6

Li with strong atom-atom interactions. The first part of this manuscript describes the design and the building of the apparatus that has been e ...

EPFL2022

Uncertainty estimation for molecular dynamics and sampling

Michele Ceriotti, Federico Grasselli, Yongbin Zhuang, Venkat Kapil, Kevin Rossi, Edgar Albert Engel, Giulio Imbalzano

Machine-learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale, and complexity. Given the interpolative nature of these models, the r ...

2021

On the Application of Small-Scale Turbines in Industrial Steam Networks

François Maréchal, Jürg Alexander Schiffmann, Ivan Daniel Kantor, Ansgar Weickgenannt

This study investigates the technical and economic feasibility of replacing throttling valves with smale-scale, oil-free turbomachinery in industrial steam networks. This is done from the perspective of the turbomachine, which has to be integrated into a n ...

2021

Nematic quantum criticality in an Fe-based superconductor revealed by strain-tuning

Joshua Alan Wolfe Straquadine

Quantum criticality may be essential to understanding a wide range of exotic electronic behavior; however, conclusive evidence of quantum critical fluctuations has been elusive in many materials of current interest. An expected characteristic feature of qu ...

AMER ASSOC ADVANCEMENT SCIENCE2021

A High Efficiency Pneumatic Drive System Using Vane-Type Semi-Rotary Actuators

Alfred Rufer

A compressed air driven generator is proposed, where the pneumatic energy is converted into mechanical energy using two vane-type rotational actuators. The use of a second actuator with a higher displacement in order to produce a thermodynamic expansion al ...

UNIV NIS2021

Fredholm transformation on Laplacian and rapid stabilization for the heat equations

Shengquan Xiang

We revisit the rapid stabilization of the heat equation on the 1-dimensional torus using the backstepping method with a Fredholm transformation. We prove that, under some assumption on the control operator, two scalar controls are necessary and sufficient ...

2021

Cavity Quantum Electrodynamics with strongly correlated fermions

Kevin Etienne Robert Roux

This thesis presents the first cavity quantum electrodynamics experiments performed with a degenerate gas of

^6

Li with strong atom-atom interactions. The first part of this manuscript describes the design and the building of the apparatus that has been e ...

EPFL2022