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The space-group symmetry of a crystal structure imposes a point-group symmetry on its diffraction pattern, giving rise to so-called symmetry-equivalent reflections. Instances in macromolecular crystallography are discussed in which the symmetry in reciproc ...
Differential geometry provides a useful mathematical framework for describing the fundamental concepts in crystallography. The notions of point and associated vector spaces correspond to those of manifold and tangent space at a given point. A space-group o ...
A general formalism for the maximal symmetrization and reduction of fields (MSRFs) is proposed and applied to wave functions in solid-state nanostructures. Its primary target is to provide an essential tool for the study and analysis of the electronic and ...
The application of electrical fields within a microfluidic channel enables many forms of manipulation necessary for lab-on-a-chip devices. Patterning electrodes inside the microfluidic channel generally requires multi-step optical lithography. Here, we uti ...
We develop the structure theory of full isometry groups of locally compact non-positively curved metric spaces. Amongst the discussed themes are de Rham decompositions, normal subgroup structure and characterising properties of symmetric spaces and Bruhat- ...
We study lattices in non-positively curved metric spaces. Borel density is established in that setting as well as a form of Mostow rigidity. A converse to the flat torus theorem is provided. Geometric arithmeticity results are obtained after a detour throu ...
A new spin on C60: Axially chiral, pushpull buta-1,3-diene chromophores conjugated to vicinally methylated fullerenes (see picture) have high barriers of rotation about their chiral axes. These high barriers allowed their optical resolution and the determi ...
In general, most porous materials are so complex that structural information cannot be easily observed with 3D visualization tools. To address this problem, we have developed a special abstract 2D representation to depict all important topological features ...
On the basis of ab initio molecular dynamics simulations, we propose that the Fm3̄m symmetry of the high-temperature (above 356 K) phase of Li 2NH results from dynamical disorder due to fast diffusion of Li interstitials and a slower diffusion of Li vacanc ...
We present a method for determining molecular orientation from second-order nonlinear light scattering experiments. Our modeling shows that there is an optimal angular region, for which the scattering pattern is most sensitive to molecular orientation. We ...