A transformer based large-scale molecular representation modelIndra Priyadarsini SSeiji Takedaet al.2023MRS Fall Meeting 2023
Designing Machine Learning Pipeline Toolkit for AutoML Surrogate Modeling OptimizationPaulito PalmesAkihiro Kishimotoet al.2023JuliaCon 2023
Automated Artificial-intelligence Inverse Design of Polymer Membranes for CO2 Capture and SeparationRonaldo GiroHsianghan Hsuet al.2022MRS Fall Meeting 2022
A Data-driven Discovery Pipeline for Flue Gas Separation Homopolymer MembranesHsianghan HsuMatteo Manicaet al.2022MRS Fall Meeting 2022
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)Matteo ManicaJoris Cadowet al.2022MRS Fall Meeting 2022
A Data-driven Discovery Pipeline for Flue Gas Separation Homopolymer MembranesHsianghan HsuMatteo Manicaet al.2022MRS Fall Meeting 2022
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)Matteo ManicaJoris Cadowet al.2022ACS Fall 2022
Molecular Descriptors Accounting for Intramolecular Interactions and Application to Chemical Property PredictionLisa HamadaSeiji Takedaet al.2022ACS Fall 2022
Molecular Descriptors Based on Global Structure Information of SubstructuresLisa HamadaSeiji Takedaet al.2022JSAI 2022
Computational Design and Validation of Polymer Membranes with high CO2 PermeabilityHsianghan HsuRonaldo Giroet al.2022APS March Meeting 2022