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Physics-inspired molecular representations are the cornerstone of similarity-based learning applied to solve chemical problems. Despite their conceptual and mathematical diversity, this class of descriptors shares a common underlying philosophy: they all r ...
Recent theoretical advances, based on a combination of concepts from Thouless' topological theory of adiabatic charge transport and a newly introduced gauge-invariance principle for transport coefficients, have permitted to connect (and reconcile) Faraday' ...
In this review, we summarize the recent development in modeling nuclear quantum effects at aqueous metal interfaces. First, we review the nuclear quantum effects on the water-metal interface at ultrahigh vacuum. Then, we illustrate the nuclear quantum effe ...
A new model for the case of a superposition of a phase transformation and a microstructure transition from columnar plane front to equiaxed dendritic growth for peritectic alloys is presented. This model is applied to Fe-Ni alloys where a phase transition ...
Some governance functions traditionally performed by humans are increasingly informed and sometimes automatically executed by machine learning algorithms (governance by machine learning) to benefit society. Therefore, it is necessary to think also about th ...
Recent results of directional solidification experiments with Fe-Co alloys were not consistent with the presently accepted peritectic phase diagram. Therefore, the Fe-rich part of this phase diagram was re-examined. High-temperature gradient plane front so ...
The formalism for non-Hermitian quantum systems sometimes blurs the underlying physics. We present a systematic study of the vielbeinlike formalism which transforms the Hilbert space bundles of non-Hermitian systems into the conventional ones, rendering th ...
Dissipative Kerr solitons arising from parametric gain in ring microresonators are usually described within a classical mean-field framework. Here, we develop a quantum-mechanical model of dissipative Kerr solitons in terms of the Lindblad master equation ...
Determination of the three-dimensional atomic-level structure of powdered solids is one of the key goals in current chemistry. Solid-state NMR chemical shifts can be used to solve this problem, but they are limited by the high computational cost associated ...
We consider 2d QFTs as relevant deformations of CFTs in the thermodynamic limit. Using causality and KPZ universality, we place a lower bound on the timescale characterizing the onset of hydrodynamics. The bound is determined parametrically in terms of the ...
