51 citations · 173 across the 12 of their papers we have counts for
5 papers · 1 filter
A Kernel-based Machine Learning Approach to Computing Quasiparticle Energies within Many-Body Green's Functions Theory
Gianluca Tirimbó, Onur Çaylak, Björn Baumeier
We present a Kernel Ridge Regression (KRR) based supervised learning method combined with Genetic Algorithms (GAs) for the calculation of quasiparticle energies within Many-Body Gr…
Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics
Björn Baumeier, Onur Çaylak, Carlo Mercuri +3
We prove existence and uniqueness of solutions to the initial-value problem associated with a class of time-dependent Kohn-Sham equations coupled with Newtonian nuclear dynamics. W…
Glassy dynamics from generalized mode-coupling theory: existence and uniqueness of solutions for hierarchically coupled integro-differential equations
Rutger A. Biezemans, Simone Ciarella, Onur Çaylak +2
Generalized mode-coupling theory (GMCT) is a first-principles-based and systematically correctable framework to predict the complex relaxation dynamics of glass-forming materials.…
Jamming and force distribution in growing epithelial tissue
Pranav Madhikar, Jan Åström, Björn Baumeier +1
We investigate morphologies of proliferating cellular tissues using a newly developed numerical simulation model for mechanical cell division and migration in 2D. The model is appl…
Wasserstein metric for improved QML with adjacency matrix representations
Onur Çaylak, O. Anatole von Lilienfeld, Björn Baumeier
We study the Wasserstein metric to measure distances between molecules represented by the atom index dependent adjacency "Coulomb" matrix, used in kernel ridge regression based sup…