Aditya Ashi Savara Staff Researcher Contact savaraa@ornl.gov | 865.576.6311 All Publications Mechanism for Acetone and Crotonaldehyde Production during Steam Reforming of Ethanol over La0.7Sr0.3MnO3–x Perovskite: Evi... CheKiPEUQ Intro 1: Bayesian Parameter Estimation Considering Uncertainty or Error from both Experiments and Theory... Ethanol Conversion over La 0.7 Sr 0.3 MnO 3– x (100): Autocatalysis, Adjacent O-Vacancies, Disproportionation, and Dehydrog... A Method for Obtaining Liquid–Solid Adsorption Rates from Molecular Dynamics Simulations: Applied to Methanol on Pt(111) in... Microkinetic simulation and fitting of the temperature programmed reaction of methanol on CeO2(111): H2 and H2O + V produ... Experimental data based combinatorial kinetic simulations for predictions of synergistic catalyst mixtures... The F-t-Pj-RG method: An adjacent-rolling-windows based steady-state detection technique for application to kinetic Monte Car... Coupling of Acetaldehyde to Crotonaldehyde on CeO2–x(111): Bifunctional Mechanism and Role of Oxygen Vacancies... The φ-relation and a simple method to predict how many data points are needed for relevant steady-state detection... Electrons to Reactors Multiscale Modeling: Catalytic CO Oxidation over RuO2... Below-Room-Temperature C–H Bond Breaking on an Inexpensive Metal Oxide: Methanol to Formaldehyde on CeO2(111)... SQERTSS: Dynamic Rank Based Throttling of Transition Probabilities in Kinetic Monte Carlo Simulations... Benzyl Alcohol Oxidation on Carbon-Supported Pd Nanoparticles: Elucidating the Reaction Mechanism... Toward Quantum Chemical Free Energy Simulations of Platinum Nanoparticles on Titania Support Toward Understanding and Controlling Organic Reactions on Metal Oxide Catalysts Acetylene Semi-Hydrogenation on a Perovskite Oxyhydride Surface: Insights from First Principles and Microkinetic Modeling... Evidence of redox cycling as a sub-mechanism in hydrogen production during ethanol steam reforming over La0.7Sr0.3MnO3-x perovskite oxide catalysts Design of tough adhesive from commodity thermoplastics through dynamic crosslinking... CheKiPEUQ Intro 2: Harnessing Uncertainties from Data Sets, Bayesian Design of Experiments in Chemical Kinetics... Harnessing strong metal–support interactions via a reverse route... Extracting meaningful standard enthalpies and entropies of activation for surface reactions from kinetic rates... Surface Reactions and Catalytic Activities for Small Alcohols over LaMnO 3 (100) and La 0.7 Sr 0.3 MnO 3 (100): Dehydrogenati... Progress in Accurate Chemical Kinetic Modeling, Simulations, and Parameter Estimation for Heterogeneous Catalysis... Progress in Accurate Chemical Kinetic Modeling, Simulations, and Parameter Estimation for Heterogeneous Catalysis... Progress In Accurate Chemical Kinetic Modeling, Simulations, And Parameter Estimation for Heterogeneous Catalysis Pagination Current page 1 Page 2 Page 3 Next page ›› Last page Last » Key Links Curriculum Vitae ORCID Google Scholar Profile - Aditya "Ashi" Savara Organizations Physical Sciences Directorate Chemical Sciences Division Chemical Transformations Section Surface Chemistry and Catalysis Group