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Explainability and Extrapolation of Machine Learning Models for Predicting the Glass Transition Temperature of Polymers

Publications Journal of Polymer Science

Conformationally Selective 2-Aminotetralin Ligands Targeting the alpha2A- and alpha2C-Adrenergic Receptors

Publications ACS Chemical Neuroscience

DAFNI: A Computational Platform to Support Infrastructure Systems Research

Publications Proceedings of the Institution of Civil Engineers - Smart Infrastructure and Constrution

Scalable Riemann Solvers with the Discontinuous Galerkin Method for Hyperbolic Network Simulation

Publications PASC '23: Proceedings of the Platform for Advanced Scientific Computing Conference

FAZ: A Flexible Auto-Tuned Modular Error-Bounded Compression Framework for Scientific Data

Publications ICS '23: Proceedings of the 37th International Conference on Supercomputing

Black-White Disparities in Colorectal Cancer Outcomes: A Simulation Study of Screening Benefit

Publications JNCI Monographs

Developing Efficient Deep Learning Model for Predicting Copolymer Properties

Publications Physical Chemistry Chemical Physics

A Hybrid Tensor-Expert-Data Parallelism Approach to Optimize Mixture-of-Experts Training

Publications ICS '23: Proceedings of the 37th International Conference on Supercomputing

The Riddle of Dark LLZO: Cobalt Diffusion in Garnet Separators of Solid-State Lithium Batteries

Publications Advanced Functional Materials

Polymer Sequence Design via Molecular Simulation-Based Active Learning

Publications Soft Matter

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