People
Principal investigator
Srinivas Rangarajan
Associate Professor and Schiesser Faculty Fellow
B Tech. Chemical Engineering, IIT Madras, India (2007)
PhD. Chemical Engineering, University of Minnesota - Twin Cities (2013)
Post doc. Chemical Engineering, University of Wisconsin - Madison (2016)
Students
Adhika Setiawan
Graduate student
B.S. Chemical Engineering, University of Wisconsin-Madison
M.S. Chemical Engineering, Purdue University, IN
Adhika employs density functional theory (DFT) and microkinetic modeling to elucidate the mechanism of ethylene oxidation on supported and promoted Ag catalysts.
Chin-Fei Chang
Graduate student
BS.
MS.
Chin-Fei employs cheminformatics and machine learning to study problems in molecule and reaction design problems. This includes elucidating plastics upcycling, designing hydrogen carriers, and discovering synthetically feasible covalent organic frameworks.
Aojie Li
Graduate student
BS.
MS.
Aojie employs DFT and microkinetic modeling to study catalytic transfer hydrogenation (CTH).
Johari Dramiga
Graduate student
BS
MS
Johari employs DFT and microkinetic modeling to study the effect of impurities in electrochemical CO2 conversion and water splitting. This includes studying the effect of inorganic impurities in hydrogen evolution reaction and the effect of SO2 on CO2 reduction in solid oxide electrochemical cells.
Siddharth Prabhu
Graduate student (co-advised with Prof. Mayuresh Kothare)
Siddharth employs machine learning and data science to recover the underlying differential equations from time series data of chemical processes for application in process design, optimization, and control.
Undergraduate students
Nelly Lian (May 2017 - may 2018): Software interface development for RING
Greg Casee (May - Aug 2018): DFT analysis of single atom doping of molybdenum sulfide. Currently, a graduate student at Cornell.
Jess Sacco (May 2017 - ): Molecular simulation and density functional theory calculations of adsorption of molecules in porous materials
Amanda Smith (May - Aug 2018): Development of a computer module for ENGR 005
Sam Cieszynski (May - Aug 2018, NSF REU Physics): DFT study of alkane dehydrogenation on molybdenum sulfide
Kexin Zhang (May 2018 - Dec 2018): Data-driven models for reaction kinetics
Kyle Schipper (May 2018 - May 2019 ): Process design for recovering organics from waste water
Jason Mak (May 2018 - May 2019 ): Micro- and macroeconomics for recovering organics from waste water
Kristin Paragian (Undergrad at U. Delaware, May 2019 - May 2021 ): Screening of liquid organic hydrogen carriers for energy storage
Morgan Massimo (Jan 2019 - May 2020): Screening of liquid organic hydrogen carriers for energy storage
Danny Lin (May 2020 - ): Density functional theory analysis of the site-dependent energetics of MoS2 nanoparticle
Nick Kosir (May 2020 - 2021 ): Recovery of underlying ordinary differential equations from temporal data using sparse data-driven models
Shengping Huang (May 2022 - ): Elucidating metathesis based upcycling of model plastics
Kevin Bradigan (May 2022 - ): Machine learned elucidation of catalytic reactions using literature-derived data.
Alumni
2018: Greg Casee, B.S.
2019: Nelly Lian, B.S. (Current: OSISoft LLC)
2019: Kexin Chen, B.S. (Current: Graduate student in U Minnesota)
2019: Ronak Upadhyay, M.S.
2021: Huijie Tian, Ph.D. (Most recent known employment: Flagship Pioneer)
2022: Bowen Li, Ph.D. (Most recent known employment: Amazon)
2022: Christopher Rzepa, Ph.D. (Most recent known employment: Air Products)