PUBLICATIONS

34. P. K. Pandey, M. Jain, and P. K. Jha*

Drug Delivery from a Ring Implant Attached to Intraocular Lens: An in-silico Investigation

Journal of Pharmaceutical Sciences, 113(11), 3332-3343 (2024)
Impact Factor=3.8

33. S. Mahapatra, D. Qian, R. Zhang, S. Yang, P. Li, Y. Feng, L. Zhang, H. Wu, J. S. W. Seale, P. J. Das, P. K. Jha, K. L. Kohlstedt, M. Olvera de la Cruz, J. F. Stoddart

Hydrogen-Bonded Fibers Assembled from Trigonal Prismatic Building Blocks

Journal of the American Chemical Society, 146 (31), 21689-21699, 2024
Impact Factor=15.6

32. R. A. M. Kalapurakal, P. K. Jha* and H. Vashisth

Theory and simulations of light-induced self-assembly in colloids with quantum chemistry derived empirical potentials

Soft Matter, 2024, 20, 7367-7378
Impact Factor=2.8

31. K. Yellam, A. Priyadarshi, and P. K. Jha*

Monte Carlo simulations of spherocylinders interacting with site-dependent square-well potentials

Scientific Reports volume 14, Article number: 3753 (2024)
Impact Factor=3.9

30. P. Pentyala, P. Biswas, and P. K. Jha*

A density functional theory study of Nix (x = 4–16) cluster impregnation effects in multi-metal (Ce, Ti) UiO-66 metal–organic frameworks

New Journal of Chemistry, 47, 8549-8557 (2023)
Impact Factor=2.5

29. R. Singh, P. Biswas, and P. K. Jha*

Study of the Glycerol Hydrogenolysis Reaction on Cu, Cu–Zn, and Cu–ZnO Clusters

ACS Omega, 7 (37), 33629-33636 (2022)
Impact Factor=4.3

28. R. Singh and P. K. Jha*

DFT investigation of self-assembling, light-responsive azobenzene dithiol ligands

Computational  and Theoretical Chemistry, 1206, 113492, 2021
Impact Factor=2.8

27. A. Ranjan and P. K. Jha*

Studying drug release through polymeric controlled release formulations in USP 2 apparatus using multiphysics simulation and experiments

Molecular Pharmaceutics, 18, 7, 2600-2611 (2021)
Impact Factor=4.5

26. A. Ranjan and P. K. Jha*

Recent advances in dissolution testing and their use to improve in vitro in vivo correlations in oral drug formulations

Journal of Pharmaceutical Innovation, 17, 1011–1026 (2022)
Impact Factor=2.7

25. 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, 120:e26239 (2020)Impact Factor=2.0

24. 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=5.5

23. 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)Impact Factor=2.9

22. 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=3.9

21. 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=3.1

20. 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=4.5

19. 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=27.0

18. 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=3.2

17. 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=4.5

16. 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=3.8

15. 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=5.2

14. 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=4.9

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=4.5

12. 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=2.8

11. 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=5.2

10. 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=2.8

9. 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=5.2

8. 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=2.8

7. 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=3.1

6. 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=13.4

5. 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=2.8

4. 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=5.2

3. 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=5.5

2. P. K. Jha, F. J. Solis, J. J. de Pablo, M. Olvera de la Cruz
Nonlinear Effects in the Nanophase Segregation of Polyelectrolyte Gels
Macromolecules 2009 42 (16), 6284-6289; Impact Factor=5.1

1. P. K. Jha and M. Tirumkudulu
   Measurement of tack of Newtonian liquids on porous substrates
   Physics of Fluids 19, 123101 (2007)Impact Factor=4.3