Computation of accommodation coefficients and the use of velocity correlation profiles in molecular dynamics simulations
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.
We propose a novel approach to evaluating the ionic Seebeck coefficient in electrolytes from relatively short equilibrium molecular dynamics simulations, based on the Green-Kubo theory of linear response and Bayesian regression analysis. By exploiting the ...
Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By performing real-time simu ...
The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...
Static and mobile sensor nodes can be employed in gas monitoring tasks to detect gas leaks in an early stage and localize gas sources. Due to the intermittent nature of gas plumes and the slow dynamics of commonly used gas sensors, measuring gas concentrat ...
Accessing the thermal transport properties of glasses is a major issue for the design of production strategies of glass industry, as well as for the plethora of applications and devices where glasses are employed. From the computational standpoint, the che ...
In light of the challenges posed by climate change and the goals of the Paris Agreement, electricity generation is shifting to a more renewable and decentralized pattern, while the operation of systems like buildings is increasingly electrified. This calls ...
Over the past two decades, the thermo-hydro-mechanical behavior of earth-contact structures such as piles, walls, slabs, and tunnels, which simultaneously provide structural support and energy supply, has been studied through various field experiments and ...
Rubble stone masonry is a common construction typology of historical city centres and vernacular architecture. While past earthquakes have shown that it is one of the most vulnerable masonry construction typologies, there are few experimental campaigns giv ...
Neuroprostheses have been used clinically for decades, to help restore or preserve brain functions, when pharmaceutical treatments are inefficient. Although great progress in the field has been made over the years to interface with the nervous system, surf ...
ObjectivePrematurity is associated with a high risk of long-term behavioral problems. This study aimed to assess the prognostic utility of volumetric brain data at term-equivalent-age (TEA), clinical perinatal factors, and parental social economic risk in ...
