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The Journal of Physical Chemistry. A|April 9, 2020
Simpler is Better: How Linear Prediction Tasks Improve Transfer Learning in Chemical AutoencodersNicolae C Iovanac, Brett M SavoieThe Journal of Physical Chemistry. A|April 30, 2019
Improved Chemical Prediction from Scarce Data Sets via Latent Space EnrichmentNicolae C Iovanac, Brett M SavoieThe Journal of Physical Chemistry. A|January 5, 2022
Actively Searching: Inverse Design of Novel Molecules with Simultaneously Optimized PropertiesNicolae C Iovanac, Robert MacKnight, Brett M SavoieJournal of Chemical Information and Modeling|May 25, 2021
Transferable Ring Corrections for Predicting Enthalpy of Formation of Cyclic CompoundsQiyuan Zhao, Nicolae C Iovanac, Brett M SavoieACS Biomaterials Science & Engineering|January 15, 2021
Sodium Alginate Toughening of Gelatin HydrogelsMichael A Samp, Nicolae C Iovanac, Adam J NolteThe Journal of Physical Chemistry. B|June 25, 2026
Fluoride Electrolyte Discovery via Reactivity Guided Genetic AlgorithmsVignesh Sathyaseelan, Brett M SavoieJournal of Chemical Theory and Computation|January 30, 2025
Chemical Reaction Networks from Scratch with Reaction Prediction and Kinetics-Guided ExplorationMichael Woulfe, Brett M SavoieProceedings of the National Academy of Sciences of the United States of America|August 14, 2023
Deep reaction network exploration of glucose pyrolysisQiyuan Zhao, Brett M SavoieThe Journal of Chemical Physics|August 1, 2023
Δ-Learning applied to coarse-grained homogeneous liquidsAditi Khot, Brett M SavoieNature Computational Science|January 13, 2024
Simultaneously improving reaction coverage and computational cost in automated reaction prediction tasksQiyuan Zhao, Brett M SavoiePageof 9