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Plos Computational Biology|August 31, 2019
Fast uncertainty quantification for dynamic flux balance analysis using non-smooth polynomial chaos expansionsJoel A Paulson, Marc Martin-Casas, Ali Mesbah
The Journal of Physical Chemistry Letters|July 1, 2016
An Analytical Solution for Exciton Generation, Reaction, and Diffusion in Nanotube and Nanowire-Based Solar CellsDarin O Bellisario, Joel A Paulson, Richard D Braatz, et al.
Industrial & Engineering Chemistry Research|January 19, 2026
Generative Multiobjective Bayesian Optimization with Scalable Batch Evaluations for Sample-Efficient De Novo Molecular DesignMadhav R Muthyala, Farshud Sorourifar, Tianhong Tan, et al.
The Journal of Chemical Physics|February 24, 2026
MD-BAX: A general-purpose Bayesian design framework for molecular dynamics simulations with input-dependent noiseTianhong Tan, Ting-Yeh Chen, Jacob R Breese, et al.
Soft Matter|December 7, 2020
Deep learning for characterizing the self-assembly of three-dimensional colloidal systemsJared O'Leary, Runfang Mao, Evan J Pretti, et al.
The Journal of Physical Chemistry. B|May 17, 2026
Thermodynamics-Informed Machine Learning of Organic Electrode Material Solubility in Nonaqueous ElectrolytesAbigail M Houser, Madhav R Muthyala, Farshud Sorourifar, et al.
Journal of the American Chemical Society|November 1, 2024
Zero-Shot Discovery of High-Performance, Low-Cost Organic Battery Materials Using Machine LearningJaehyun Park, Farshud Sorourifar, Madhav R Muthyala, et al.
The Journal of Physical Chemistry. A|August 24, 2023
Understanding Rapid PET Degradation via Reactive Molecular Dynamics Simulation and Kinetic ModelingShuangxiu Max Ma, Changlong Zou, Ting-Yeh Chen, et al.
ACS Nano|February 24, 2015
Layer number dependence of MoS2 photoconductivity using photocurrent spectral atomic force microscopic imagingYoungwoo Son, Qing Hua Wang, Joel A Paulson, et al.
Cell Reports. Physical Science|November 23, 2020
Ultrasensitive and Selective Detection of SARS-CoV-2 Using Thermotropic Liquid Crystals and Image-Based Machine LearningYang Xu, Adil M Rather, Shuang Song, et al.
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