Prateek Jha - Department of Chemical Engineering,Indian Institute of Technology Roorkee
Prateek Jha
Prateek Kumar Jha Associate professor prateek.jha@ch.iitr.ac.in Website
Areas of Interest
  • Molecular Simulations, Polymer Physics, Drug Delivery, Charged systems, Rheology, Catalysis, Multiscale modeling
Professional Background
FromPeriodPositionOrganisation
2012-07-021 year 11 months 28 daysPostdoctoral Research FellowUniversity of Michigan - Ann Arbor, USA
Multiple Posts
FromPeriodPositionOrganisation
2017-11-152 years 9 months 16 daysCoordinator, SPARK programIIT Roorkee
2020-12-17OngoingAssociate ProfessorIIT Roorkee
2016-01-011 year Faculty adviser, Photography SectionIIT Roorkee
2014-07-115 years 5 months 5 daysAssistant ProfessorIIT Roorkee
2018-01-01Department representativeIAPC
Honors and Awards
AwardInstituteYear
Institute Research Fellowship for Outstanding Young FacultyIIT Roorkee2020
DST Young Scientist AwardSERB2016
INSPIRE faculty awardDST2014
Finalist for Frank J. Padden Jr. Award for excellence in polymer physics researchAmerican Physical Society2012
Distinguished Graduate Researcher AwardDepartment of Chemical and Biological Engineering, Northwestern University2011
McCormick terminal year fellowshipNorthwestern University2011
NERC FellowshipNorthwestern University2010
MRSEC FellowshipNorthwestern University2008
Murphy FellowNorthwestern University2007
Merit ScholarshipNIT Warangal2001
Merit certificate for outstanding performance in MathematicsCBSE1997
Educational Details
DegreeSubjectUniversityYear
PhDChemical EngineeringNorthwestern University, USA2012
M.Tech.Chemical EngineeringIIT Bombay2006
B.Tech.Chemical EngineeringNIT Warangal2004
Sponsored Research Projects
TopicFunding AgencyStart DatePeriod
In-vitro dissolution experiments and multi scale simulations of responsive polymer-drug formulationSERB2016-01Ongoing
First-principle design, synthesis, and characterization of ... catalysts for ... from MOF precursorsSERB2019-01Ongoing
DST-INSPIRE fellowshipDST2014-01Ongoing
Memberships
  • American Physical Society, Member
  • The Institution of Engineers (India), Member
  • Indian Institute of Chemical Engineers, Member
Teaching Engagements
TitleCourse CodeClass NameSemester
Process Modeling and SimulationCH-401B.Tech. & IDD, 4th yearAutumn
Industrial InstrumentationCHN-210B. Tech. 2nd yrSpring
Heterogeneous Catalysis and Reactor DesignCH-564M. Tech. & PhDSpring
Polymer Physics and RheologyCHN-411B. Tech, 4th yrAutumn
Engineering Analysis and Process ModelingCHN-302B. Tech. 3rd yrSpring
Introduction to Chemical EngineerinngCHN-101B. Tech. 1st yrAutumn
Projects and Thesis Supervised
Title of ProjectNames of Students
Comparative Assessment of Biodiesel Production Processes using Aspen Plus SimulationsArchhit Trichal
ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS OF THERMALLY RESPONSIVE POLYMERIC DRUG CARRIERSBhanu Singh
MOLECULAR SIMULATION OF LIGHT SENSITIVE POLYMERSVikas Kumar
MATHEMATICAL MODELING OF CONTROLLED DRUG RELEASE FROM pH-RESPONSIVE POLYMERIC CARRIERSManohar Prasad
Mathematical Modeling of Controlled Drug Release in Oral DeliveryM Ramya Durga
Experimental investigation of the Rheological behavior of Bentonite clay SuspensionsMithilesh Kumar
MOLECULAR SIMULATION METHODS FOR pH RESPONSIVE MOLECULESPramanshu Rajput
EXPERIMENTAL AND MODELING STUDY OF pH RESPONSIVE DRUG RELEASE SYSTEMSRaminder Kaur Sekhon
IN-VITRO EXPERIMENTS OF CONTROLLED DRUG RELEASE FORMULATIONYash Pal Gangwar
A Study on Nanoparticle Catalysts using Kinetic Monte Carlo SimulationRaveesh Kalra
MODELING AND SIMULATIONS OF LIGHT-RESPONSIVE MOLECULESRohit Kumar Patel
EFFECT OF pH AND PARTICLE CONCENTRATION ON THE RHEOLOGICAL BEHAVIOUR OF BENTONITE SUSPENSIONSShalu Chauhan
KMC simulations of drug eluting nanogelsRakshit Jain
Flow induced erosion of controlled release formulationsSandip Samanta
ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS OF THERMALLY RESPONSIVE POLYMERIC DRUG CARRIERSTanu Vyas
Bridging of Quantum chemistry calculations with atomistic/coarse grained simulationsRavikant Tiwari
PHDs Supervised
TopicScholar NameStatus of PHDRegistration Date
Molecular Simulations of PolyelectrolytesRatna Sandeep KatiyarA2014-01
Controlled Drug ReleaseAlok RanjanO2016-01
Multiscale simulationsRam SinghO2017-01
Coarse-grained simulationsYellam KiranmaiO2018-01
Visits to outside institutions
Institute VisitedPurpose of VisitDate
Northwestern University, USACollaboration and Invite Talk at Center for Computation and Theory of Soft Materials2020-03-06
Participation in short term courses
Couse NameSponsored ByDate
Postdoctoral Short-Course on College Teaching in Science and EngineeringUniversity of Michigan - Ann Arbor, USA2013-01
Introduction to Gaussian: Theory and PracticeGAUSSIAN, Inc.2014-01
First Les Houches school in computational physics: soft matterEcole de Physique des Houches, France2011-01
Management for scientists and engineersKellogg School of Management, Northwestern University, USA2010-01
Courses or Conferences Organised
Conference NameSponsored ByDate
CompFlu'18 (12th International Conference on Complex Fluids and Soft Matter).2018-01
Special Lectures Delivered
TitlePlaceDate
Nanoscale Simulations (QIP)IIT Roorkee2018-01
Multiscale Modeling of Controlled Drug Release (QIP)IIT Roorkee2018-01
Nanoscale Modeling and Simulation in Chemical Engineering (QIP)IIT Roorkee2015-01
Molecular Simulations in Chemical Engineering (QIP)IIT Roorkee2016-01
Multiscale Modeling in Drug Delivery (QIP)IIT Roorkee2018-01
Mathematical Modeling in Transport Phenomena: Polymers and Complex Fluids (QIP)IIT Roorkee2018-01
Particulars of course - MOOC on "Introduction to Polymer Physics" (12 weeks) on NPTEL
Process development - Patent no. JP6462675B2 (Japan) granted on "Methods, systems, and devices for designing molecules". Application pending in China, Korea, Brazil, Europe. https://patents.google.com/patent/WO2015061602A1/en
Refereed Journal Papers
  1. R. Singh, P. Biswas, and P. K. Jha*
    Density functional theory investigation of structure, stability, and glycerol/hydrogen adsorption on Cu, CuZn, and CuZnO clusters
    International Journal of Quantum Chemistry(2020)Impact Factor=2.263
  2. A. Ranjan and P. K. Jha*
    Experiments and modeling of controlled release behavior of commercial and model polymer-drug formulations using dialysis membrane method
    Drug Delivery and Translational Research, 10, 515–528(2020)Impact Factor=3.111
  3. R. S. Katiyar and P. K. Jha*
    Mimicking the Dissolution Mechanisms of pH‐Responsive Drug Release Formulations in Atomistic MD Simulations
    Advanced Theory and Simulations, 190053(2019)
  4. K. Singh, A. Raghav, P. K. Jha*, and S. Satapathi
    Effect of size and charge asymmetry on aggregation kinetics of oppositely charged nanoparticles
    Scientific Reports, 9, 3762 (2019) Impact Factor=4.011
  5. K. Singh, S. Satapathi, and P. K. Jha*
    “Ant-Wall” model to study drug release from excipient matrix
    Physica A: Statistical Mechanics and its Applications, 519, 98(2019) Impact Factor=2.5
  6. R. S. Katiyar and P. K. Jha*
    Molecular insights into the effects of media-drug and carrier-drug interactions on pH-responsive drug carriers
    Molecular Pharmaceutics, 15(6), 2479(2018) Impact Factor=4.396
  7. R. S. Katiyar and P. K. Jha*
    Molecular Simulations in Drug Delivery: Opportunities and Challenges
    WIREs Computational Molecular Science, 8(4), e1358(2018) Impact Factor=8.127
  8. K. Singh, P. K. Jha*, and S. Satapathi
    Controllable Bulk Heterojunction Morphology by Self-Assembly of Oppositely Charged Nanoparticles
    Journal of Physical chemistry C, 121, 16045–16050(2017)Impact Factor=4.309
  9. R. S. Katiyar and P. K. Jha*
    Phase behavior of aqueous polyacrylic acid solutions using atomistic molecular dynamics simulations of model oligomers
    Polymer, 114, 266-276 (2017)Impact Factor=3.771
  10. R. D. Manga and P. K. Jha*
    Mathematical models for controlled drug release through pH-responsive polymeric hydrogels
    Journal of Pharmaceutical Sciences, 106(2), 629-638 (2017)Impact Factor=3.197
  11. W. Huang, R. Ramesh, P. K. Jha, and R. G. Larson
    A Systematic Coarse-Grained Model for Methylcellulose Polymers: Spontaneous Ring Formation at Elevated Temperature
    Macromolecules, 49(4), 1490-1503 (2016)Impact Factor=5.997
  12. P. K. Jha, P. S. Desai, J. Li, and R. G. Larson
    pH and Salt Effects on the Associative Phase Separation of Oppositely Charged Polyelectrolytes 
    Polymers, Special Issue "Polyelectrolytes 2014", 6(5), 1414-1436 (2014)Impact Factor=3.164
  13. P. K. Jha and R. G. Larson
    Assessing the Efficiency of Polymeric Excipients by Atomistic Molecular Dynamics Simulations 
    Molecular Pharmaceutics, 11(5), pp 1676-1686 (2014)Impact Factor=4.396
  14. R. Zhang, P. K. Jha, and M. Olvera de la Cruz
    Non-equilibrium ionic assemblies of oppositely charged nanoparticles 
    Soft Matter, 9, 5042-5051 (2013)Impact Factor=3.399
  15. P. K. Jha, V. Kuzovkov, and M. Olvera de la Cruz
    Kinetic Monte Carlo Simulations of Flow-Assisted Polymerization 
    ACS Macro Letters, 1, pp 1393--1397 (2012) [COVER ARTICLE]Impact Factor=5.775
  16. P. K. Jha, J. W. Zwanikken, and M. Olvera de la Cruz
    Understanding Swollen-Collapsed and Re-entrant Transitions in Polyelectrolyte Nanogels by a Modified Donnan Theory 
    Soft Matter (Communication), 8, 9519-9522 (2012)Impact Factor=3.399
  17. K.-A. Wu, P. K. Jha, and M. Olvera de la Cruz
    Pattern Selection in Polyelectrolyte Gels by Nonlinear Elasticity 
    Macromolecules, 45 (16), 6652-6657 (2012)Impact Factor=5.997
  18. P. K. Jha, V. Kuzovkov, B. A. Grzybowski, and M. Olvera de la Cruz
    Dynamic Self-Assembly of Photo-switchable nanoparticles 
    Soft Matter, 8, 227-234 (2012)Impact Factor=3.399
  19. J. W. Zwanikken, P. K. Jha, and M. Olvera de la Cruz
    A practical integral equation for the structure and thermodynamics of hard sphere Coulomb fluids 
    Journal of Chemical Physics, 135, 064106 (2011)Impact Factor=2.997
  20. P. K. Jha, J. W. Zwanikken, J. J. de Pablo, and M. Olvera de la Cruz
    Electrostatic Control of Nanoscale Phase Behavior of Polyelectrolyte Networks
    Current Opinion in Solid State and Materials Science, 15(6), 271-276 (2011)Impact Factor=8.418
  21. P. K. Jha, J. W. Zwanikken, F. A. Detcheverry, J. J. de Pablo, and M. Olvera de la Cruz
    Study of Volume Phase Transitions in Polymeric Nanogels by Theoretically Informed Coarse-Grained Simulations
    Soft Matter, 7, 5965-5975 (2011)Impact Factor=3.399
  22. K.-A. Wu, P. K. Jha, and M. Olvera de la Cruz
    Control of Nanophases in Polyelectrolyte Gels by Salt Addition
    Macromolecules 43, 9160-9167 (2010)Impact Factor=5.997
  23. P. K. Jha, R. Sknepnek, G. I. Guerrero-Garcia, M. Olvera de la Cruz
    A Graphics Processing Unit Implementation of Coulomb Interaction in Molecular Dynamics
    Journal of Chemical Theory and Computation, 6, 3058 (2010)Impact Factor=5.313
  24. P. K. Jha, F. J. Solis, J. J. de Pablo, and M. Olvera de la Cruz
    Nonlinear effects in the nanophase segregation of polyelectrolyte gels
    Macromolecules, 42, 6284-6289 (2009)Impact Factor=5.997
  25. P. K. Jha and M. Tirumkudulu
    Measurement of tack of Newtonian liquids on porous substrates
    Physics of Fluids 19, 123101 (2007)Impact Factor=2.627
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