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.
Water is ubiquitous in the biosphere, and the difficulty of rigorously treating the effects of aqueous solvation currently limits the widespread use of computational methods in many areas of environmental chemistry. We propose an approach to benchmark calc ...
In this thesis, quantum chemical methods have been applied to elucidate the thermodynamics and the kinetics of reactions involving reactive species in water. Due to their high reactivity in water, many transient species are difficult to study by experiment ...
We calculate the thermomechanical properties of alpha-iron, and in particular its isothermal and adiabatic elastic constants, using first-principles total-energy and lattice-dynamics calculations, minimizing the quasiharmonic vibrational free energy under ...
This study presents a model for the optimization of machining parameters for the minimum energy consumption in a multi-pass turning operation. The model takes into account finishing and roughing passes separately for the energy optimization followed by the ...
The spin-1/2 Ising-Heisenberg model on two geometrically related triangles-in-triangles lattices is exactly solved through the generalized star-triangle transformation, which establishes a rigorous mapping correspondence with the effective spin-1/2 Ising m ...
Ion-bombardment-induced selective grain growth is a process that allows for full control of the orientation of vapor-deposited thin films, which can be converted from fiber-textured polycrystalline to single-crystal films. The main mechanisms behind this p ...
The primary H/D kinetic isotope effect on the intramolecular proton transfer in malonaldehyde is determined from quantum instanton path integral Monte Carlo simulations on a fully dimensional and validated potential energy surface for temperatures between ...
When adsorbing guest molecules, the porous metal-organic framework MIL-53(Cr) may vary its cell parameters drastically while retaining its crystallinity. A first approach to the thermodynamic analysis of this "framework breathing" consists of comparing the ...
We study the phase diagram of an effective ion model of fully ionized hydrogen at ultra-high pressure. We assume that the protons interact with a screened Coulomb potential derived from a static linear response theory. This model accurately reproduces the ...
This poster presents the measurement of the forces involved in the hydrophobic self assembly process. More precisely the objects of interest are hydrophilic semi spheres with a gold layer on the flat side. The gold layer has been coated with dodeca thiols ...