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New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as em ...
Bristol2023
We study the statistical mechanics and the equilibrium dynamics of a system of classical Heisenberg spins with frustrated interactions on a d -dimensional simple hypercubic lattice, in the limit of infinite dimensionality d -> infinity . In the analysis we ...
Amer Physical Soc2024
The local physical properties - such as shape and flexibility - of the DNA double-helix is today widely believed to be influenced by nucleic acid sequence in a non-trivial way. Furthermore, there is strong evidence that these properties play a role in many ...
EPFL2023
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Predictions of relative stabilities of (competing) molecular crystals are of great technological relevance, most notably for the pharmaceutical industry. However, they present a long-standing challenge for modeling, as often minuscule free energy differenc ...
In this thesis, we propose model order reduction techniques for high-dimensional PDEs that preserve structures of the original problems and develop a closure modeling framework leveraging the Mori-Zwanzig formalism and recurrent neural networks. Since high ...
We consider increasingly complex models of matrix denoising and dictionary learning in the Bayes-optimal setting, in the challenging regime where the matrices to infer have a rank growing linearly with the system size. This is in contrast with most existin ...
Critical statistical mechanics and Conformal Field Theory (CFT) are conjecturally connected since the seminal work of Beliavin et al. (Nucl Phys B 241(2):333-380, 1984). Both exhibit exactly solvable structures in two dimensions. A long-standing question ( ...
Establishing relations between fundamental effects in far-flung areas of physics is a subject of great interest in the current research. Realization of a novel photonic system akin to the radio-frequency superconducting quantum interference device (RF-SQUI ...
We present asymptotically sharp inequalities, containing a 2nd term, for the Dirichlet and Neumann eigenvalues of the Laplacian on a domain, which are complementary to the familiar Berezin-Li-Yau and Kroger inequalities in the limit as the eigenvalues tend ...
We develop random graph models where graphs are generated by connecting not only pairs of vertices by edges, but also larger subsets of vertices by copies of small atomic subgraphs of arbitrary topology. This allows for the generation of graphs with extens ...