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Oklahoma State University


Graduate Research Opportunities:

The Shah Research Group currently has openings for two highly motivated and talented individual to pursue PhD. The research topics involve understanding thermodynamics and kinetics of ionic liquid degradation, ionic liquid mixtures for separations of interest to chemical and petroleum industries. The projects will utilize a range of modeling techniques from electronic structure calculations, QM/MM methods, and techniques of classical simulations such as Monte Carlo and molecular dynamics. Successful applicants will have a strong foundation in thermodynamics, possess problem solving skills, and a background in chemical engineering concepts. Prior research experience and familarity with Linux/Unix environment preferred but not required. If interetsed, please email Dr. Jindal Shah for more information. 

June 2020 

  • Dr. Shah has been granted tenure and promoted to the Associate Professor level. The achievement would not have been possible without the committment and hard work from our current and former group members. Thanks to Pratik, Atiya (current Ph.D students), Wyatt (UG researcher), and group alumni Dr. Utkarsh Kapoor (Ph.D.), Prashanth Chandran, Reagan Black, William Penaroza, Grant Smith, Laura Beth-Stover, Cache Hamilton, and Gray Laughlin.

May 2020 

  • Wyatt's paper presentation was placed second at the 2020 AIChE Mid-America Regional Student Paper Competition. Congratulations Wyatt!
  • Congratulations to Wyatt Gassaway and Phillip Pergrande - the UG researchers in our group. They graudated with a bachelor's in Chemical Engineering at OSU. We wish them good luck in their future endeavors! Welcome to the Shah Research Group's Alumni Club!
  • The semester is over! Grades are turned in! Looking forward to research, manuscripts, proposals, and some relaxation!

November 2019

August 2019

  • Fall semester is here! Dr. Shah will be teaching  a graduate course on Thermodynamics.
  • Dr. Shah presents the poster 'Screening for Non-Ideality in Ionic Liquid-Ionic Liquid Mixtures' at the Gordron Research Conference on Physics and Chemistry of Liquids.
  • Congratulations to our group alumni Dr. Utkarsh Kapoor, whose PhD research on pure and mixture gas solubilities in ionic liquid-ionic liquid mixture is accepted in Industrial and Engineering Chemistry Research.


May 2019

  • Our research group is awarded a co-operative agreement from NASA. The project involves removal of a contaminant aboard the International Space Station using ionic liquid-based technology.
  • Dr. Shah presents a research poster at the Foundational and Applied Data Science for Molecular and Materials Science & Engineering workshop organized by the Institute of Data, Intelligent Systems, and Computation (i-DISC) at Lehigh University.

April 2019

  • Dr. Shah presents an invited seminar at The Penn Institute for Computational Science! 
  • Congratulations to our undergraudate researcher Reagan for winning the second place in the poster compettion at the 2019 AIChE Mid-America Regional Student Conference hosted by the Missouri Science and Technology, Rolla. Reagan presented her research detailing how the solubility of ammonia varies as a function of anion concentrations in a binary ionic liquid mixture. The poster also discussed the effect of temperature on the solubility of ammonia.



March 2019

  • Atiya and Dr. Shah participated as judges in the Oklahoma State Science and Engineering Fair held in Endeavor on March 29.
  • Utkarsh and Atiya's contribution to evaluating predictive capability of various ionic liquid force fields for Henry's constant predictions for methane, CO2, SO2, and NH3 is now accepted for publication in Fluid Phase Equilibria. 
  • Dr. Shah attends the undergraduate research panel organized by Alpha Omega Epsilon

Fe​bruary 2019


  • Reagan and Atiya present research posters at the OSU Research Symposium. 


January 2019

  • The Spring semester has begun. Dr. Shah is teaching Rate Operations II to juniors. 

December 2018

  • Utkarsh Kapoor received his Ph.D. degree at the Fall Graduation Ceremony.
  • The end of the semester and calendar was celebrated with group lunch.

November 2018

  • Congratulations to Utkarsh Kapoor for successfully defending his Ph.D. dissertation! Utkarsh is our first Ph.D. graduate!  Uktarsh will be starting his postdoctoral research with Dr. Arathi Jayaraman at the University of Delaware. Good luck, Utkarsh!
  • Welcome Wyatt Gassaway - junior in Chemical Engineering - as our newest undergraduate researcher. He will be investigating solvation of novel desalination solvents using quantum chemistry tools!
  • Welcome to Pratik Dhakal! Pratik joins our research group as a Ph.D. student. He received a Master's degree from the Miami University, OH under the supervision of Dr. Andrew Paluch. Pratik will carry forward Utkarsh's research projects on binary ionic liquid mixtures.

October 2018

  • Dr. Shah co-chairs the session 'Molecular Modeling to Study Interfacial Phenomena' at the 2018 Annual AIChE Conference in Pittsburgh, PA.
  • Dr. Shah presents an invited talk on "Thermophysical and Phase Equilibria Properties of Binary Ionic Liquid Mixtures' at the Equifase 2018 conference in Cordoba, Argentina.
  • Read Dr. Shah's book chapter, 'Ab Initio Molecular Dynamics Simulation of Ionic Liquids,' published in Annual Reports in Computational Chemistry. Download the chapter for free until November 23, 2018.
  • Congratulations to Utkarsh for receiving the Distinguished Graduate Student Fellowship.

September 2018

  • The AIChE Student Chapter at OSU advised by Dr. Shah recognized as an Outstanding Student Chapter for 2017-2018.
  • Congratulations to Atiya Banerjee from our research group for successfully defending his PhD proposal!

August 2018

  • The Fall 2018 semester has begun! Dr. Shah is teaching the graduate course 'Principles of Chemical Engineering Thermodynamics'
  • Welcome to our new undergraduate researcher Reagan Black!

July 2018

  • Utkarsh's paper on computing thermophysical properties of binary ionic liquid mixtures appears in the Emerging Investigators Special Issue of the Joural of Chemical and Engineering Data: 10.1021/acs.jced.7b01028

June 2018

  • Dr. Shah gives an invited talk 'Is Difference in Hydrogen Bonding Ability of Anions an Exclusive Descriptor of Non-ideality in Binary Ionic Liquid Mixtures?' at the 20th Symposium on Thermophysical Properties.

  • Dr. Shah presents an invited talk 'Exploiting Non-Native Structure in Binary Ionic Liquid Mixtures to Enhance Gas Solubility' at the 20th Symposium on Thermophysical Properties.

  • Dr. Shah talks about 'Predicting Liquid-Liquid Equiliibria for Water Desalination Using a Free Energy-based Approach,' and  'Correlating Geometrical and Electronic Properties of Imidazolium-Based Cation-Iron Porpyrin Complexes to Ionic Liquid Biodegradability.' 

May 2018

  • Prashant Chandran graduates wtih a Master's degree - our first graduate from the group. 

  • Dr. Shah was awareded the 2017-2018 Outstanding Graduate Faculty by the Chemical Engineering Graduate Student Association for committment to graduate teaching.

  • Prashanth's manuscript is published online as an ASAP article:

  • Prashanth's manuscript titled 'A Molecular Simulation Approach to the Computation of Water Solubility in Organic Liquids: Application to Fatty Acids' has been accepted for publication in Fluid Phase Equilibria.

April 2018

  • Dr. Shah was awarded the 2018 College of Engineering, Architecture, and Technology Excellent Teacher Award.

  • Utkarsh Kapoor receives the People's Choice Award for his poster on gas solubilities in binary ionic liquid mixtures at the CADRE conference.

  • Dr. Shah presents a seminar in the Chemical Engineering Department at Brigham Young University

  • Congratulations to Prashanth for defending his M.S. thesis. He is the first graudate from our research group.

March 2018

  • Utkarsh Kapoor's paper on thermophysical properties of ionic liquids is now available  online - to be published  in the Journal of Chemical Engineering and Data Special Issue on Emerging Investigators.