Daniel Schwalbe-Koda
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Year of Publication:2023
Generating, Managing, and Mining Big Data in Zeolite Simulations
AI‐Guided Design and Property Prediction for Zeolites and Nanoporous Materials,pp.81-111,2023
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Year of Publication:2022
Machine Learning and High Throughput Synthesis Acceleration of the Discovery of Alkaline Electrolyte Oxygen Evolution Reaction Electrocatalysts
ECS Meeting Abstracts,2022
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Year of Publication:2022
Human- and machine-centred designs of molecules and materials for sustainability and decarbonization
Nature Reviews Materials,2022
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Year of Publication:2022
Repurposing Templates for Zeolite Synthesis from Simulations and Data Mining
Chemistry of Materials,2022
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Year of Publication:2022
Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure-Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx
Angewandte Chemie International Edition,2022
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Year of Publication:2022
Learning Matter: Materials Design with Machine Learning and Atomistic Simulations
Accounts of Materials Research,2022
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Year of Publication:2022
Sampling Lattices in Semi-Grand Canonical Ensemble with Autoregressive Machine Learning
npj Computational Materials,vol.8,pp.61,2022
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Year of Publication:2021
Discovering relationships between OSDAs and zeolites through data mining and generative neural networks
ACS Central Science,vol.7,pp.858–867,2021
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Year of Publication:2021
Data-Driven Design of Biselective Templates for Intergrowth Zeolites
The Journal of Physical Chemistry Letters,vol.12,pp.10689-10694,2021
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Year of Publication:2021
A priori control of zeolite phase competition and intergrowth with high-throughput simulations
Science,pp.eabh3350,2021