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Properties of galaxies reproduced by a hydrodynamic simulation.
Previous simulations of the growth of cosmic structures have broadly reproduced the 'cosmic web' of galaxies that we see in the Universe, but failed to create a mixed population of elliptical and spiral galaxies, because of...
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Reversal of migration flows
We investigate the dynamic effects of interregional labor market integration on migration flows, capital formation, and the price for housing services. The co-evolution of these variables depends on initial conditions at the...
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Reversal of migration flows
We investigate the dynamic effects of interregional labor market integration on migration flows, capital formation, and the price for housing services. The co-evolution of these variables depends on initial conditions at the...
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How has external knowledge contributed to lithium-ion batteries for the energy transition?
Innovation in clean-energy technologies is central toward a net-zero energy system. One key determinant of technological innovation is the integration of external knowledge, i.e., knowledge spillovers. However, extant work does...
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De novo exploration and self-guided learning of potential-energy surfaces
Abstract: Interatomic potential models based on machine learning (ML) are rapidly developing as tools for material simulations. However, because of their flexibility, they require large fitting databases that are normally...
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Automated methods for cell type annotation on scRNA-seq data.
The advent of single-cell sequencing started a new era of transcriptomic and genomic research, advancing our knowledge of the cellular heterogeneity and dynamics. Cell type annotation is a crucial step in analyzing single-cell...
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Data-driven learning and prediction of inorganic crystal structures.
Crystal structure prediction algorithms, including ab initio random structure searching (AIRSS), are intrinsically limited by the huge computational cost of the underlying quantum-mechanical methods. We have recently shown that...
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Data-Driven Learning of Total and Local Energies in Elemental Boron.
The allotropes of boron continue to challenge structural elucidation and solid-state theory. Here we use machine learning combined with random structure searching (RSS) algorithms to systematically construct an interatomic...
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Hierarchically Structured Allotropes of Phosphorus from Data-Driven Exploration.
The discovery of materials is increasingly guided by quantum-mechanical crystal-structure prediction, but the structural complexity in bulk and nanoscale materials remains a bottleneck. Here we demonstrate how data-driven...
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Linguistic Distances in Dialectometric Intensity Estimation
Dialectometric intensity estimation as introduced in Rumpf etal. (2009) and Pickl and Rumpf (2011, 2012) is a method for the unsupervised generation of maps visualizing geolinguistic data on the level of linguistic...
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Combining phonon accuracy with high transferability in Gaussian approximation potential models.
Machine learning driven interatomic potentials, including Gaussian approximation potential (GAP) models, are emerging tools for atomistic simulations. Here, we address the methodological question of how one can fit GAP models...
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Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures.
We demonstrate how machine-learning based interatomic potentials can be used to model guest atoms in host structures. Specifically, we generate Gaussian approximation potential (GAP) models for the interaction of lithium atoms...
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Reactivity of Amorphous Carbon Surfaces
Systematic atomistic studies of surface reactivity for amorphous materials have not been possible in the past because of the complexity of these materials and the lack of the computer power necessary to draw representative...
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