Phonon Lifetimes Throughout the Brillouin Zone at Elevated Temperatures from Experiment and ab initio

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

This Ph.D. thesis unveils the unique topological phenomena occurring in such networks, focusing on the intricate interplay between their Floquet topology, the presence of disorder, and their unitary scattering at microscopic and macroscopic scales. Using t ...

In the domain of computational structural biology, predicting protein interactions based on molecular structure remains a pivotal challenge. This thesis delves into this challenge through a series of interconnected studies. The first chapter introduces th ...

Post-translational modifications (PTMs) play a pivotal role in regulating protein structure, interaction, and function. Aberrant PTM patterns are associated with diseases. Moreover, individual PTMs have a complex interaction with each other, known as PTM c ...

We show that including pairing and repulsion into the description of one-dimensional spinless fermions, as in the domain wall theory of commensurate melting or the interacting Kitaev chain, leads, for strong enough repulsion, to a line of critical points i ...

In this work, linear and nonlinear collisionless electrostatic simulation studies of the standard and short wavelength ion temperature gradient mode (SWITG) for experimental profiles and parameters of ADITYA-U tokamak are performed using the linear global ...

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

Understanding the mechanical behavior of silicon nanowiresis essentialfor the implementation of advanced nanoscale devices. Although bendingtests are predominantly used for this purpose, their findings shouldbe properly interpreted through modeling. Variou ...

The prediction of trajectories of buoyancy-driven objects immersed in a viscous fluid is a key problem in fluid dynamics. Simple-shaped objects, such as disks, present a great variety of trajectories, ranging from zig-zag to tumbling and chaotic motions. Y ...

The motion of atoms is at the heart of any chemical or structural transformation in molecules and materials. Upon activation of this motion by an external source, several (usually many) vibrational modes can be coherently coupled, thus facilitating the che ...

Proteins control nearly every facet of life on a molecular level. Proteins are formed from linear strings of amino acids, which fold into three-dimensional structures that can enact functions. Evolution has created highly efficient proteins in diverse fold ...

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

The present application relates to a computer-implemented systems and methods for protein interaction design using surface fingerprints. The method comprises predicting at least one target interface site with high binding propensity, wherein, optionally, t ...

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 ...

A Muon Spin Rotation (mu+SR) study was conducted to investigate the magnetic properties of SrCu2(BO3)(2) (SCBO) as a function of temperature/pressure. Measurements in zero field and transverse field confirm the absence of long range magnetic order at high ...

At present, there is no general standard automated method for engineering metalloenzymes, industrially-relevant systems able to catalyze environmentally friendly reactions. One of the most studied natural metalloenzymes is the second isoform of human carbo ...

The spin waves in single crystals of the layered van der Waals antiferromagnet CoPS3 have been measured using inelastic neutron scattering. The data show four distinct spin wave branches with large (>14 meV) energy gaps at the Brillouin zone center indicat ...

The atomic motion controls important properties of materials, such as thermal transport, phase transitions, and vibrational spectra. However, simulating the ionic dynamics is exceptionally challenging when quantum fluctuations are relevant (e.g., at low te ...

Proteins, the central building blocks of life, play pivotal roles in nearly every biological function. To do so, these macromolecular structures interact with their surrounding environment in complex ways, leading to diverse functional behaviors. The predi ...

Cell-cell communication is fundamental for immune balance. Multivalent interactions of surface receptors at immune interfaces drive specific communication, with stimulatory and inhibitory signals guiding the immune outcome. Notably, the valency, affinity, ...

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 ...

Phonon Lifetimes Throughout the Brillouin Zone at Elevated Temperatures from Experiment and ab initio

Chat with Graph Search

Topological photonic transport in disordered scattering networks

Predicting protein interactions using geometric deep learning on protein surfaces

Investigating the intra-molecular and inter-molecular effects of post-translational modifications on intrinsically disordered protein regions and structured protein regions

Eight-vertex criticality in the interacting Kitaev chain

Gyrokinetic simulation of short wavelength ion temperature gradient instabilities in the ADITYA-U tokamak

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Nanomechanical Modeling of the Bending Response of Silicon Nanowires

Permeability sets the linear path instability of buoyancy-driven disks

Imaging and controlling coherent phonon wave packets in single graphene nanoribbons

De novo designed proteins: a study in engineering novel folds and functions

Many-body screening effects in liquid water

Systems and methods for de novo design of protein interactions with learned surface fingerprints

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

Confirming the high pressure phase diagram of the Shastry-Sutherland model

Computational Studies for the Design of Metalloenzyme Mimics

Spin wave spectra of single crystal CoPS3

Wigner Gaussian dynamics: Simulating the anharmonic and quantum ionic motion

A Geometric Transformer for Structural Biology: Development and Applications of the Protein Structure Transformer

Exploring the interplay of molecular pattern and valency for selective interactions at the bio-interface

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