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 thesis is concerned with supramolecular architectures assembled at metal surfaces. The investigations pursued two objectives. On the one hand, the focus was placed on the fabrication of low-dimensional surface-supported network structures by applying ...
Hypothetical hydroxide and proton migration along the linear water chain in Aquaporin GlpF from Escherichia coli are studied by ab initio Car-Parrinello mol. dynamics simulations. It is found that the protein stabilizes a bipolar single file of water. The ...
Through the sequential use of classical molecular dynamics and first-principles relaxation methods, we generate an abrupt model interface for the 4H(0001)SiC-SiO2 interface showing regular structural parameters without any coordination defect. The bond den ...
Two nitrile-functionalized alkyltriflouroborate anion based complexes [(Ph3P)(2)N][CH3CH(BF3)CH2CN] and [K(18-crown-6)][CH3CH(BF3)CH2CN] were synthesized and characterized by spectroscopic methods and single X-ray diffraction analysis. In the former comple ...
Interaction forces between ionizable surfaces across an electrolyte solution on the Poisson-Boltzmann level are discussed within the constant regulation approximation. The chemical response of each surface is expressed in terms of two parameters, namely, t ...
We numerically study the dependence of the dynamics on the range of interaction Δ for the short-range square well potential. We find that, for small Δ, dynamics scale exactly in the same way as thermodynamics, both for Newtonian and Brownian microscopic dy ...
We propose a definition for the dipole of an individual molecule in a molecular solid or fluid. This problem is currently dealt with by partitioning-according to some prescription-the continuous electron density of the condensed phase. Instead, here we foc ...
The electrolytic cond. and soln. viscosity of some strong polycations, which possess the ammonium quaternary centers either attached to an acrylic macromol. chain (polycation PDMAEMQ type), or in the backbone (polycation PCA type), have been measured to id ...
We carried out an ab initio molecular dynamics simulation of liquid hydrogen. chloride (l-HCl) at a temperature of 313 K. Comparison with inelastic neutron scattering data shows that the simulation achieves an overall good description of the structural cor ...
A new approach combining electrostatic and covalent bonds was established for the formation of resistant capsules with long-term stability under physiol. conditions. Three kinds of interactions were generated in the same membrane: (1) electrostatic bonds b ...