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SaveKinetic model development and Bayesian uncertainty quantification for the complete reduction of Fe-based oxygen carriers with CH4, CO, and H2 for chemical looping combustion
Ostace, Anca; Chen, Yu-Yen; Parker, Robert; Mebane, David S.; Okoli, Chinedu O.; Lee, Andrew; Tong, Andrew; Fan, Liang-Shih; Biegler, Lorenz T.; Burgard, Anthony P.; Miller, David C.; Bhattacharyya, Debangsu
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SaveExploring DFT plus U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling
Tavadze, Pedram; Boucher, Reese; Avendano-Franco, Guillermo; Kocan, Keenan X.; Singh, Sobhit; Dovale-Farelo, Viviana; Ibarra-Hernandez, Wilfredo; Johnson, Matthew B.; Mebane, David S.; Romero, Aldo H.
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SaveCarbon Capture Simulation Initiative: A Case Study in Multiscale Modeling and New Challenges
Miller, David C.; Syamlal, Madhava; Mebane, David S.; Storlie, Curt; Bhattacharyya, Debangsu; Sahinidis, Nikolaos V.; Agarwal, Deb; Tong, Charles; Zitney, Stephen E.; Sarkar, Avik; Sun, Xin; Sundaresan, Sankaran; Ryan, Emily; Engel, Dave; Dale, Crystal
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