Publications associées à Interactions of Tris with rutile surfaces and consequences for in vitro bioactivity testing

Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors

The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...

EPFL2024

A Cavity-Microscope for Quantum Simulations with Locally-Controllable All-to-All Interactions

Nick Jacob Sauerwein

This thesis presents the development, construction, and benchmark of an experimental platform that combines cold fermionic 6Li atoms with locally controllable light-matter interactions. To enable local control, a new device, the cavity-microscope, was crea ...

EPFL2024

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

Optical manipulation of plasmonic nanoparticles: Applications in surface chemistry and nano-optics

Jeonghyeon Kim

Optical tweezers are devices that can manipulate nano- and microparticles using a laser. The principle of optical tweezers is to apply a force to an object using the momentum of light. This force is very small, but it is sufficient to move things in the mi ...

EPFL2023

Correlation properties of a one-dimensional repulsive Bose gas at finite temperature

Riccardo Rota

We present a comprehensive study shedding light on how thermal fluctuations affect correlations in a Bose gas with contact repulsive interactions in one spatial dimension. The pair correlation function, the static structure factor, and the one-body density ...

IOP Publishing Ltd2023

Predicting Ion Diffusion from the Shape of Potential Energy Landscapes

Berend Smit, Senja Dominique Barthel, Amber Kashan Mace

We present an efficient method to compute diffusion coefficients of multiparticle systems with strong interactions directly from the geometry and topology of the potential energy field of the migrating particles. The approach is tested on Li-ion diffusion ...

Amer Chemical Soc2023

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

Elastocapillary menisci mediate interaction of neighboring structures at the surface of a compliant solid

John Martin Kolinski

Surface stress drives long-range elastocapillary interactions at the surface of compliant solids, where it has been observed to mediate interparticle interactions and to alter the transport of liquid drops. We show that such an elastocapillary interaction ...

2023

Modeling non-covalent interactions in condensed phase

Veronika Juraskova

The modeling of non-covalent interactions, solvation effects, and chemical reactions in complex molecular environment is a challenging task. Current state-of-the-art approaches often rely on static computations using implicit solvent models and harmonic ap ...

EPFL2022

Molecular insights into the electrical double layer of colloidal oxide particles obtained through second harmonic scattering

Marie Bischoff

Photocatalytic applications play an essential role in the search for alternative energy sources and environmental decontamination techniques. It is of fundamental interest to understand on a molecular level the aqueous solid/liquid interface, where photoca ...

EPFL2022

Effects of surface rigidity and metallicity on dielectric properties and ion interactions at aqueous hydrophobic interfaces

Philip Robin Loche

Using classical molecular dynamics simulations, we investigate the dielectric properties at interfaces of water with graphene, graphite, hexane, and water vapor. For graphite, we compare metallic and nonmetallic versions. At the vapor-liquid water and hexa ...

AIP Publishing2022

Efficient Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules

Jiri Vanicek, Nikolay Golubev

Exposing a molecule to an intense light pulse can create a nonstationary quantum state, thus launching correlated dynamics of electrons and nuclei. Although much had been achieved in the understanding of fundamental physics behind the electron-nuclear inte ...

SWISS CHEMICAL SOC2022

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules

Klaus Kern, Stephan Rauschenbach, Sabine Abb, Sven Alexander Szilagyi, Hannah Julia Ochner

Atomic design of a 2D-material such as graphene can be substantially influenced by etching, deliberately induced in a transmission electron microscope. It is achieved primarily by overcoming the threshold energy for defect formation by controlling the kine ...

WILEY-V C H VERLAG GMBH2021

Adsorption of organic matter on titanium surfaces with nano- and micro-scale roughness studied with the electrochemical quartz crystal microbalance dissipation technique

Stefano Mischler, Anna Neus Igual Muñoz

Adsorption of calf serum organic matter from a phosphate-buffered solution was studied using the electrochemical quartz crystal microbalance with additional dissipation measurements. Two types of crystal surfaces were used: one rough with micrometer-range ...

AIP Publishing2021

Rapid screening of nanopore candidates in nanoporous single-layer graphene for selective separations using molecular visualization and interatomic potentials

Rohit Karnik, Luc Sébastien Bondaz

Nanoporous single-layer graphene is promising as an ideal membrane because of its extreme thinness, chemical resistance, and mechanical strength, provided that selective nanopores are successfully incorporated. However, screening and understanding the tran ...

AIP Publishing2021

Learning From Demonstration and Interactive Control of Variable-Impedance to Cut Soft Tissues

Aude Billard, Rui Wu

In this article, we propose an approach to extract variable-impedance during cutting tasks from human demonstrations, so as to ease soft-tissue cutting by robots. We model the dynamic adjustment of the human arm during interactions with the tissue and tran ...

2021

A general and efficient framework for atomistic machine learning

Félix Benedito Clément Musil

Over the last two decades, many technological and scientific discoveries, ranging from the development of materials for energy conversion and storage through the design of new drugs, have been accelerated by the use of preliminary in silico experiments, to ...

EPFL2021

TiO2- based ceramics, from basic science to applications

Nanomaterials and nanoparticles are nowadays used in a wide range of applications; from sunscreens, paint and food industry to catalytic processes, lighting, TV's and displays, their presence is percolating in our daily life. New applications rise every da ...

EPFL2020

Modeling biochemical reaction networks in complex intracellular environments

Daniel Robert Weilandt

Whether one aims to design treatments for diseases such as cancer or diabetes, engineer cells to produce valuable biochemicals sustainably, or to grasp the behavior of living organisms, it is essential to understand how cells react to genetic, environmenta ...

EPFL2020

Thermal coarsening of individual titanate nanowires and their assemblies: Surface vs. bulk diffusion

Luca Rossi, László Forró, Xavier Berdat, Massimo Spina, Endre Horvath, Laurent Syavoch Bernard, Sergiy Katrych

The thermal coarsening of titanate nanowires was investigated from room temperature to 1000 degrees C by AFM, SEM, XRD and Raman spectroscopy. Phase transformation kinetics and the external morphology were studied in two configurations: i) as individual an ...

2020