The Role of Quantum Effects on Structural and Electronic Fluctuations in Neat and Charged Water
Graph Chatbot
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.
Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition in quantum-chemistry simulations and are nowadays also being introduced in computational condensed-matter and materials simulations. A key ingredient of co ...
Why are classical theories often sufficient to describe the physics of our world even though everything around us is entirely composed of microscopic quantum systems? The boundary between these two fundamentally dissimilar theories remains an unsolved prob ...
The temperature dependence of the femtosecond elastic second harmonic scattering (fs-ESHS) response of bulk light and heavy water and their electrolyte solutions is presented. We observe clear temperature dependent changes in the hydrogen (H)-bond network ...
Mechanical oscillators are among the most important scientific tools in the modern physics. From the pioneering experiments in 18th by founding fathers of modern physics such as Newton, Hooke and Cavendish to the ground braking experiments in the 21th cent ...
This thesis is devoted to the study of microcavity polariton systems, in which the strong coupling occurs between more than one exciton or photon modes i.e. multimode polaritons. The first part of this work states the theoretical background of light-matter ...
We combine classical and ring polymer molecular dynamics simulations with the molecular jump model to provide a molecular description of the nuclear quantum effects (NQEs) on water reorientation and hydrogen-bond dynamics in liquid H2O and D2O. We show tha ...
The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious approximations. Even th ...
Quantum effects scale up with the frequency of electromagnetic waves. Therefore, modern synchrotron sources of high-frequency x-rays-that can be visited by students either personally or online-offer an opportunity for a captivating introduction to basic qu ...
We investigate the thermodynamics and kinetics of a hydrogen interstitial in magnetic α-iron, taking account of the quantum fluctuations of the proton as well as the anharmonicities of lattice vibrations and hydrogen hopping. We show that the diffusivity o ...
Nuclear quantum effects influence the structure and dynamics of hydrogen-bonded systems, such as water, which impacts their observed properties with widely varying magnitudes. This review highlights the recent significant developments in the experiment, th ...