Uncertainty estimation for molecular dynamics and sampling
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.
Based on the original combination of picosecond acoustics and diamond anvils cell, recent improvements to accurately measure hypersonic sound velocities of liquids and solids under extreme conditions are described. To illustrate the capability of this tech ...
Sample return capsules, as the Apollo Command Module have been widely used to ad- vance the knowledge and planning of manned lunar and planetary return missions. Such reentry vehicles undergo extreme thermal conditions, caused by shock-heated air during th ...
The present investigation is concerned with wave propagation in micropolar thermoelastic solid half space with distinct conductive and thermodynamic temperatures. Reflection of plane waves incident obliquely at the free surface of micropolar generalized th ...
Quantum chemical implicit solvent models are used widely to estimate aqueous redox potentials. We compared the accuracy of several popular implicit solvent models (SM8, SMD, C-PCM, IEF-PCM, and COSMO-RS) for the prediction of aqueous single electron oxidat ...
Thermodynamic irreversibility can be imposed on empirical material behaviour by using an appropriate algorithm which takes the path-dependence of the degradation process into account. This new algorithm, Algorithmically Imposed Mechanics (AIM), for algorit ...
Phase equilibria in the Au-Cu-Ge ternary system, including the solid state phase relations at 450 degrees C as well as four vertical sections, were studied by means of scanning electron microscopy (SEM), electron probe microanalysis (EPMA), X-ray diffracti ...
A comprehensive particle size distribution model has been developed for the simulation of gamma' precipitation in multicomponent Ni alloys. Nucleation, growth and coarsening of the precipitates are described by a particle size distribution. The growth rate ...
The identification of a suitable combined electricity production cycle depends on the heating and cooling requirements of the respective industrial process. Due to the large number of options an exhaustive enumeration of all the possibilities is not realis ...
We study the thermodynamic stability at low temperatures of a series of alkali-metal-zinc double-cation borohydrides, including LiZn(BH4)(3), LiZn2(BH4)(5), NaZn(BH4)(3), NaZn2(BH4)(5), KZn(BH4)(3), and KZn2(BH4)(5). While LiZn2(BH4)(5), NaZn(BH4)(3), NaZn ...
Nanowire (NW) crystal growth via the vapour-liquid-solid mechanism is a complex dynamic process involving interactions between many atoms of various thermodynamic states. With increasing speed over the last few decades many works have reported on various a ...