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Journal of Chemical Theory and Computation|August 17, 2019
Predicting Adsorption Energies Using Multifidelity DataHuijie Tian, Srinivas Rangarajan
The Journal of Physical Chemistry. A|March 28, 2023
Machine Learning and Informatics Based Elucidation of Reaction Pathways for Upcycling Model Polyolefin to AromaticsChin-Fei Chang, Srinivas Rangarajan
Accounts of Chemical Research|September 2, 2020
Combining Computational Modeling with Reaction Kinetics Experiments for Elucidating the In Situ Nature of the Active Site in CatalysisSaurabh Bhandari, Srinivas Rangarajan, Manos Mavrikakis
Computers in Biology and Medicine|October 15, 2023
Data-driven discovery of sparse dynamical model of cardiovascular system for model predictive controlSiddharth Prabhu, Srinivas Rangarajan, Mayuresh Kothare
Industrial & Engineering Chemistry Research|February 10, 2025
Derivative-Free Domain-Informed Data-Driven Discovery of Sparse Kinetic ModelsSiddharth Prabhu, Nick Kosir, Mayuresh V Kothare, et al.
ACS Catalysis|December 12, 2024
Expanding the Reaction Network of Ethylene Epoxidation on Partially Oxidized Silver CatalystsAdhika Setiawan, Tiancheng Pu, Israel E Wachs, et al.
ACS Engineering Au|April 20, 2026
Mechanistic Insights for Plasma-Catalytic CO2 Reduction over TiO2 in a Dielectric Barrier Discharge ReactorDiego Alexander Gonzalez-Casamachin, Yuyang Hu, Srinivas Rangarajan, et al.
Nature Communications|September 2, 2020
Site-dependent reactivity of MoS2 nanoparticles in hydrodesulfurization of thiopheneNorberto Salazar, Srinivas Rangarajan, Jonathan Rodríguez-Fernández, et al.
ACS Sustainable Chemistry & Engineering|August 30, 2024
Sustainable Aviation Fuel Molecules from (Hemi)Cellulose: Computational Insights into Synthesis Routes, Fuel Properties, and Process Chemistry MetricsChin-Fei Chang, Kristin Paragian, Sunitha Sadula, et al.
ACS Catalysis|July 24, 2025
Tuning the Molecular Structure and Reaction Mechanism of Olefin Metathesis by Model Bilayered Supported MoO x /AlO x /SiO2 CatalystsEli M Ream, Joseph I Thompson, Adhika Setiawan, et al.
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