FACULTY
Biography
"I did my M.S. and Ph.D. from University of Virginia (USA) and B.Tech from IIT (BHU) Varanasi. I have also worked in the industry as 1) Research Process Engineer at RTI International in North Carolina, USA, 2) Process Design Engineer at Lummus in India and 3) Operations Officer for the catalytic cracking unit at BPCL Chembur refinery in India. At RTI and Lummus I used tools like Python, Pro II, ASPEN plus, GROMACS, Materials Studio, MFix etc. to solve a variety of materials and process design problems. Job at BPCL was more hands on as I had to deal with pumps, compressors, reactors, distillation columns etc. on the field on a routine basis.
Education
- Ph.D. University of Virginia (USA)
- M.S University of Virginia (USA)
- B.Tech. Indian Institute of Technology, Varanasi(BHU)
Teaching
- Chemical Engineering Thermodynamics
- Advanced Chemical Engineering Thermodynamics
- Technology Museum Lab
- Tinkering Lab
- Engineering Products Lab
- Applied Chemical Engineering Aspects of Chemical Business and Ethics
- Chemical Process Design and Economics
Awards
- RTI Discovery-Science-Technology Annual Award in recognition of exemplary performance (2014 and 2016).
Selected Publications
- H. Paliwal and M. R. Shirts, “A benchmark test set for alchemical free energy transformations and its use to quantify error in common free energy methods,” Journal of Chemical Theory and Computation, 7 (12), 4115– 4134 (2011)
- H. Paliwal and M. R. Shirts, “Multistate reweighting and configuration mapping together accelerate the efficiency of thermodynamic calculations as a function of molecular geometry by orders of magnitude,” Journal of Chemical Physics, 138 (15), 154108 (2013)
- H. Paliwal and M. R. Shirts, “Using multistate reweighting to rapidly and efficiently explore molecular simulation parameter space for non bonded interactions,” Journal of Chemical Theory and Computation,9 (11), 4700–4717, (2013)
Patents
- Integrated system and method for removing acid gas from a gas stream. Inventors: : David L. Denton, Raghubir Gupta, Brian S. Turk, Vijay Gupta, Himanshu Paliwal. United States Patent US 10,414,649 B2, 2019
- Systems and methods for water gas shift with reduced steam consumption. Inventors: Brian S. Turk, Vijay Gupta, David L. Denton, Raghubir P. Gupta, Himanshu Paliwal. (Filed October, 2015)
Projects
- Model existence of nanobubbles using classical thermodynamics and molecular simulations.
- Model Graphene exfoliation process using molecular simulations.
- Improve existing Chemical Engineering thermodynamic models using machine learning methods.