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Papers matching “Python utilities” 6

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SALTED: a symmetry-adapted machine-learning program for predicting electron-densities in molecules and materials
2026 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access

Zekun Lou, Alan M. Lewis, T. Bernhard, Lukas Seifert, Agustin Salcedo, Florian Kleemiss, +2 more

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citations
StereoMolGraph: Stereochemistry-Aware Molecular and Reaction Graphs
2025 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Maxim Papusha, Kai O. Leonhard

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citations
Towards White-box Environmental and Economic Process Optimization: Tailoring Modelling Approaches to Multi-scale Simulations.
2026 Systems and Control Transactions conference-paper Materials Science biodegradable polymer synthesis and properties Open access

Thomas Hietala, Sonja Herres‐Pawlis, Pedro S.F. Mendes

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citations
StereoMolGraph: Stereochemistry-Aware Molecular and Reaction Graphs
2026 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Maxim Papusha, Kai O. Leonhard

0

citations
Deriving Macroscopic Damage Properties by Micromechanical Modeling of DP1000
2026 Diffusion and defect data, solid state data. Part B, Solid state phenomena/Solid state phenomena article Materials Science High-Velocity Impact and Material Behavior Open access

Maximilian Neite, Sebastian Münstermann

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citations
Millikelvin confocal microscopy of electrostatic exciton traps and filter-function description of noisy quantum dynamics
2026 RWTH Publications (RWTH Aachen) dissertation Materials Science Chemical and Physical Properties of Materials Open access

Tobias Hangleiter

0

citations

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