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20012025
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

39 papers

physics.app-ph2025★ 3 cited

From cathode to anode: Understanding lithium loss in 21700-type Ni-rich NCM||Graphite-SiOx cells

Thien An Pham, Hannah Bosch, Giovanni Ceccio +5

Moving to larger cell formats in lithium-ion batteries increases overall useable energy but introduces inhomogeneities that influence aging. This study investigates degradation in…

cs.LG2025★ 2 cited

Mitigating Clever Hans Strategies in Image Classifiers through Generating Counterexamples

Sidney Bender, Ole Delzer, Jan Herrmann +3

Deep learning models remain vulnerable to spurious correlations, leading to so-called Clever Hans predictors that undermine robustness even in large-scale foundation and self-super…

cs.LG2025★ 1 cited

Towards Desiderata-Driven Design of Visual Counterfactual Explainers

Sidney Bender, Jan Herrmann, Klaus-Robert Müller +1

Visual counterfactual explainers (VCEs) are a straightforward and promising approach to enhancing the transparency of image classifiers. VCEs complement other types of explanations…

cs.LG2025

TabularQGAN: A quantum generative model for tabular data synthesis

Pallavi Bhardwaj, Caitlin Jones, Lasse Dierich +1

In this paper, we introduce a novel quantum generative model for synthesizing tabular data. Synthetic data is valuable in scenarios where real-world data is scarce or private, as i…

physics.chem-ph2024★ 23 cited

Thermal Conductivity of Metastable Ionic Liquid [][]

Daniel Lozano-Martín, Salomé Inês Cardoso Vieira, Xavier Paredes +4

Ionic liquids have been suggested as new engineering fluids, namely in the area of heat transfer, as alternatives to current biphenyl and diphenyl oxide, alkylated aromatics and di…

physics.chem-ph2024★ 8 cited

-- A Suitable New Heat Transfer Fluid? Part 2: Thermophysical Properties of Its Mixtures with Water

Francisco E. B. Bioucas, Carla S. G. P. Queirós, Daniel Lozano-Martín +9

Ionic liquids have proved to be excellent heat transfer fluids and alternatives to common HTFs used in industries for heat exchangers and other heat transfer equipment. However, it…