Srinivas Rangarajan

Citation name

Rangarajan, S.

Affiliation

Lehigh University - Dept of Chem & Biomolecular

State

PA

Country

USA

Srinivas Rangarajan

Sessions chaired or co-chaired

Applications of Data Science in Catalysis and Reaction Engineering I

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

Applications of Data Science in Catalysis and Reaction Engineering II

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Computational Catalysis I: Fundamentals

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Hydrocarbon Conversion III: Hydrocarbon Transformation

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

Innovations in Methods of Data Science

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

Innovations in Methods of Data Science

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

Innovations in Methods of Data Science

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

Innovations in Methods of Data Science

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

T3 Virtual Talks: Applications of Data Science to Molecules and Materials

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

Authored

(694d) DFT Investigation of the Mechanism and Site Requirements for Alkane Dehydrogenation on Transition Metal Sulfide Catalysts

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(659d) Bayesian Experimental Design and Mean Field Microkinetic Modeling of Heterogeneous Catalytic Systems

Huijie Tian

Srinivas Rangarajan

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(449g) A Systematic Procedure for Designing Training Data for Molecular Property Prediction

Bowen Li

Srinivas Rangarajan

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(95e) Designing Molecular Building Blocks to Minimize Defects in the Formation of Surface Covalent Organic Frameworks

Tiara Ann Maula

Srinivas Rangarajan

Jeetain Mittal

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(560bo) DFT Investigation of the Mechanism and Site Requirements for Reverse Water Gas Shift on Transition Metal Sulfides

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(443g) Data-Driven Strategy for Ab-Initio Microkinetic Modeling of C1-Reaction on Copper (111) from Disparate Experimental Datasets

Srinivas Rangarajan

Huijie Tian

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(38b) Towards Automated Discovery of Plausible Reaction Paths in Complex Catalytic Systems Using Network Generation and Optimization

Bowen Li

Srinivas Rangarajan

Ana I. Torres

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(174ax) Investigating the 3-D Assembly of Chemically Specific Building Blocks for Covalent Organic Frameworks

Tiara Maula

Srinivas Rangarajan

Jeetain Mittal

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(560ig) Enhancing Ab Initio Microkinetic Models with Machine Learning

Huijie Tian

Srinivas Rangarajan

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(298c) Elucidating the interactions of H2S and CO2 with transition metal sulfide catalysts for natural gas upgrading

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(183e) Investigating the 3-D Self-Assembly of Chemically Specific Building Blocks for Covalent Organic Frameworks

Tiara Ann Maula

Srinivas Rangarajan

Jeetain Mittal

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(30e) A Combined Experimental-Simulation Design Approach to Multi-Porous Covalent Organic Frameworks (COFs)

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(204e) Quantification of the Thermodynamic Effects Regarding Alkane Adsorption within ZSM-5 Using Advanced Sampling Grand Canonical Monte Carlo Simulations

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(653d) Leveraging Disparate Experimental and Ab Initio Data to Model the Reaction Network of CO2 Upgrading to C1 Products

Srinivas Rangarajan

Huijie Tian

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(513fh) Mechanism Inference from Information-Rich Time-Varying Spectrokinetic Data: A Conceptual Framework

Huijie Tian

Srinivas Rangarajan

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(714e) Towards Data-Driven Structure-Property Relations for Predicting Adsorption Entropy in Siliceous Zeolites

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(651a) Automatic Rule-Based Mapping and Evaluation of the Synthesis Space of a Sustainable Small-Molecule Refinery

Bowen Li

Srinivas Rangarajan

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(346bf) Combining Strategic Training Data Selection and Feature Engineering to Reach Accurate and Efficient Molecular Property Prediction

Bowen Li

Srinivas Rangarajan

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(740e) High Selectivity of Modified ?-Al2O3 for Propane Dehydrogenation Under H2s Treatment and Co-Feed

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(513s) Probing the Role of H2s on CO2 Hydrogenation on MoS2

Lohit Sharma

Srinivas Rangarajan

Jonas Baltrusaitis

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(219e) Improving Microkinetic Models of Catalytic Reactions Using Machine Learning

Srinivas Rangarajan

Huijie Tian

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(477g) Improved Training of Graph-Embedding Based Neural Network Energy Functions for Catalysis

Zheng Shi

Martin Takac

Srinivas Rangarajan

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(509cb) Structural Design of MoS2 Nanosheets with Single Atom Dopants As Efficient Catalysts for Hydrotreating

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(349o) A DFT and Microkinetic Modeling Study of Confinement Driven Diels-Alder Reactions in Acidic Zeolites

Christopher Rzepa

Srinivas Rangarajan

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(673d) Elucidation of the Mechanism of Ethylene Epoxidation on Promoted Supported Silver Catalysts Using Density Functional Theory and Microkinetic Modeling

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(531f) Keynote Talk - Machine Learning of Molecular and Materials Properties at the Low-Data Limit

Srinivas Rangarajan

Huijie Tian

Bowen Li

2021 Annual Meeting (ISBN: 978-0-8169-1116-5)

(180b) Understanding the Complex Reaction Network of Model Polyolefin Upcycling Via Informatics and Machine Learning

Chin-FEI Chang

Srinivas Rangarajan

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(708c) Density Functional Theory (DFT) Exploration of Cs & Re Promoter Effects on Ag Catalysts for Ethylene Oxidation

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(283d) Inferring Structure-Entropy Correlations of Zeolite-Adsorbate Interactions Using Monte-Carlo Simulations & Machine Learning

Srinivas Rangarajan

Christopher Rzepa

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(182a) Data-Driven Discovery of Sparse Dynamical Model of Cardiac System for Model Predictive Control

Srinivas Rangarajan

Siddharth Prabhu

Mayuresh Kothare

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(222e) Cold Plasma Enhanced Dry Methane Reforming Reactor and Process Design to Maximize the Overall Process Sustainability

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(661f) Towards Domain-Informed Machine Learned Models from High Throughput Experimental Data

Martin Takac

Srinivas Rangarajan

Klea Ziu

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(376h) Toward Synthesis-Structure-Function Relations of Hierarchically Structured 2D Covalent Organic Frameworks

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(577e) Virtual Experimentation Modelling Direct Air Capture of Carbon Dioxide

Srinivas Rangarajan

Joseph Menicucci

Raguram Thiagarajan

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(174f) Exploring Potential Covalent Organic Building Blocks Using High-Throughput Molecular Screening Framework

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(199f) Learning Kinetic Models from Data Using a Derivative-Free Sparse Identification Method and Domain Information

Mayuresh Kothare

Siddharth Prabhu

Srinivas Rangarajan

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(521ci) A DFT-Based Microkinetic Modeling Study to Elucidate the Role of Direct Hydrogen Transfer in Transfer Hydrogenation on Transition Metal Catalysts

Aojie Li

Srinivas Rangarajan

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(59u) Learning Dynamical Process Models Using Plant Data: A Real-World Case Study in the Sustainable Manufacturing of Insulation Products

Mayuresh Kothare

Siddharth Prabhu

Srinivas Rangarajan

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

Associated proceedings

2018 AIChE Annual Meeting

2019 AIChE Annual Meeting

2020 Virtual AIChE Annual Meeting

2021 Annual Meeting

2022 Annual Meeting

2023 AIChE Annual Meeting

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Srinivas Rangarajan

Rangarajan, S.

Lehigh University - Dept of Chem & Biomolecular

PA

USA

Sessions chaired or co-chaired

Authored

Associated proceedings