Digital Discovery

ISSN: 2635-098X
Publisher: Royal Society of Chemistry

Publications (8)

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Unpublished / Preprint

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shnitsel-tools: a toolkit for the full lifecycle of surface hopping trajectory data (2026) Höllring K, Röhrkasten T, Müller C Journal article Towards an understanding of photoluminescence in lead-free Cs2AgxNa1−xBiyIn1−yCl6double perovskites by machine learning prediction from density functional theory ground state properties (2026) Günthert M, Lüer L, Stroyuk O, Raievska O, Kupfer C, Osvet A, Meyer B, Brabec C Journal article From handbooks to high-throughput: rule-based prediction of electronic absorption maxima from SMILES with ChromoPredict (2026) Forster C, Müller C Journal article From Handbooks to High-Throughput: Rule-Based Prediction of Electronic Absorption Maxima from SMILES with ChromoPredict (2025) Forster C, Müller C Journal article An open-source peristaltic pump with multiple independent channels for laboratory automation (2025) Buchhorn M, Akkoc GD, Dworschak D Journal article Advancing vanadium redox flow battery analysis: a deep learning approach for high-throughput 3D visualization and bubble quantification (2025) Colliard-Granero A, Duan K, Zeis R, Eikerling MH, Malek K, Eslamibidgoli MJ Journal article Does one need to polish electrodes in an eight pattern? Automation provides the answer (2025) Yoshikawa N, Akkoc GD, Pablo-García S, Cao Y, Hao H, Aspuru-Guzik A Journal article An open-source environmental chamber for materials-stability testing using an optical proxy (2023) Keesey R, Tiihonen A, Siemenn AE, Colburn TW, Sun S, Hartono NTP, Serdy J, et al. Journal article