Publications related to Multiscale Simulations of Soft Matter

Related publications (12)

On the Convergence to the Non-equilibrium Steady State of a Langevin Dynamics with Widely Separated Time Scales and Different Temperatures

Nicolas Macris, Emanuele Mingione, Diego Alberici

We study the solution of the two-temperature Fokker-Planck equation and rigorously analyse its convergence towards an explicit non-equilibrium stationary measure for long time and two widely separated time scales. The exponential rates of convergence are e ...

Springer Int Publ Ag2024

Effective spin-1 breathing kagome Hamiltonian induced by the exchange hierarchy in the maple leaf mineral bluebellite

Pratyay Ghosh

The Heisenberg quantum antiferromagnet on the maple leaf lattice has been shown to feature highly exotic phases, and therefore material realizations are intensely sought after. We determine the magnetic Hamiltonian of the copper mineral bluebellite using d ...

AMER PHYSICAL SOC2024

Dynamics of the charge transfer to solvent process in aqueous iodide

Majed Chergui, Alfredo Pasquarello, Jinggang Lan

Charge-transfer-to-solvent states in aqueous halides are ideal systems for studying the electron-transfer dynamics to the solvent involving a complex interplay between electronic excitation and solvent polarization. Despite extensive experimental investiga ...

Nature Portfolio2024

Percolation and phase behavior in cellulose nanocrystal suspensions from nonlinear rheological analysis

Tiffany Abitbol

We examine the influence of surface charge on the percolation, gel-point and phase behavior of cellulose nanocrystal (CNC) suspensions in relation to their nonlinear rheological material response. Desulfation decreases CNC surface charge density which lead ...

ELSEVIER SCI LTD2023

Three-dimensional in situ imaging of single-grain growth in polycrystalline In2O3:Zr films

Quentin Thomas Jeangros, Monica Morales Masis, Michael Elias Stückelberger

Understanding grain morphology and kinetics of solid-phase crystallization is important for controlling the functional properties of polycrystalline materials. Here, in situ coherent X-ray diffraction imaging and transmission electron microscopy elucidate ...

SPRINGERNATURE2022

Epitaxial growth of GeTe/Sb2Te3 superlattices

Rui Ning Wang

In the quest for superlattices with engineered interfaces for disruptive applications such as neuromorphic computing, we present a dedicated study on the epitaxial growth of nominal GeTe/Sb2Te3 chalcogenide superlattices (CSL) on the Sb passivated Si(111) ...

2022

Charge transport in proximitized graphene within van der Waals heterostructures

Katharina Polyudov

Since their discovery, graphene and other 2D materials have become a subject of intense research in condensed matter physics. Especially the vast possibilities of combining those materials into heterostructures are promising for the discovery of novel phys ...

EPFL2020

On the Mechanistic Understanding of Photovoltage Loss in Iron Pyrite Solar Cells

Ulf Anders Hagfeldt

Considering the natural abundance, the optoelectronic properties, and the electricity production cost, iron pyrite (FeS2) has a strong appeal as a solar cell material. The maximum conversion efficiency of FeS2 solar cells demonstrated to date, however, is ...

Wiley2020

Colloquium: Spintronics in graphene and other two-dimensional materials

Ahmet Avsar

After the first unequivocal demonstration of spin transport in graphene [Tombros et al., Nature (London) 448, 571-574 (2007)], surprisingly at room temperature, it was quickly realized that this novel material was relevant for both fundamental spintronics ...

2020

Reactivity tests for supplementary cementitious materials: RILEM TC 267-TRM phase 1

Karen Scrivener, Mohsen Ben Haha, Xuerun Li, Ruben Anton Snellings, Mathieu Antoni

A primary aim of RILEM TC 267-TRM: Tests for Reactivity of Supplementary Cementitious Materials (SCMs) is to compare and evaluate the performance of conventional and novel SCM reactivity test methods across a wide range of SCMs. To this purpose, a round ro ...

SPRINGER2018

Quantum molecular master equations

Jean-Philippe Ansermet, Sylvain Bréchet, François Reuse, Klaus Maschke

We present the quantum master equations for midsize molecules in the presence of an external magnetic field. The Hamiltonian describing the dynamics of a molecule accounts for the molecular deformation and orientation properties, as well as for the electro ...

American Physical Society2016

How to remove the spurious resonances from ring polymer molecular dynamics

Michele Ceriotti, Mariana Rossi Carvalho

Two of the most successful methods that are presently available for simulating the quantum dynamics of condensed phase systems are centroid molecular dynamics (CMD) and ring polymer molecular dynamics (RPMD). Despite their conceptual differences, practical ...

Amer Inst Physics2014