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Publications and Dissertations

2014
    1. J. Liu, D. M. Eckmann, P. S. Ayyaswamy, R. Radhakrishnan, Modeling of Binding Free Energy of Targeted Nanocarriers to Cell Surfaces,, Heat and Mass Transfer (Springer), 2014, 50(3), 315-321. DOI: 10.1007/s00231-013-1274-0
    2. Counterion-mediated pattern formation in membranes containing anionic lipids, D. R. Slochower, Y.-H. Wang, R. W. Tourdot, R. Radhakrishnan, and P. A. Janmey, Advances in Colloid and Interface Science, 2014, in press. DOI: 10.1016/j.cis.2014.01.016
    3. Computational Delineation of Tyrosyl-Substrate Recognition and Catalytic Landscapes in the Epidermal Growth Factor Receptor Tyrosine Kinase Domain, Y. Liu, R. Radhakrishnan, Molecular Biosystems, 2014, in press. DOI: 10.1039/C3MB70620F

2013
    1. S. E. Telesco, R. Vadigepalli, R. Radhakrishnan, Molecular Modeling of the ErbB4/HER4 Kinase in the Context of the HER4 Signaling Network Helps Rationalize the Effects of Clinically Identified HER4 Somatic Mutations on the Cell Phenotype, Biotechnology Journal, 2013, 8, 1452-1464. (Selected as a “In this Issue” article). DOI: 10.1002/biot.201300022
    2. D. R. Slochower, P. J. Huwe, R. Radhakrishnan, and P. A. Janmey, Quantum and all-atom molecular dynamics simulations of protonation and divalent ion binding to phosphatidylinositol 4,5-bisphosphate (PIP2), J. Phys. Chem B., 2013, 117 (28), 8322–8329. (DOI)
    3. Y. Zhao, J. Liu, C. Yang, B. R. Capraro, T. Baumgart, R. P. Bradley, N. Ramakrishnan, R. Radhakrishnan, T. Svitkina, and W. Guo, Generation of Membrane Curvature by Exo70, Dev. Cell., 2013, 26, 266-278. [DOI]
    4. G. S. Stamatakos, N. Graf, R. Radhakrishnan, Multiscale Cancer Modeling and In Silico Oncology: Emerging Computational Frontiers in Basic and Translational Cancer Research, J. Bioengineering and Biomed. Sci., 2013, 3(2), 1000e114. (DOI) (open access) PDF (Open Access)
    5. R. P. Bradley, R. Radhakrishnan, Models for protein-cell membrane interaction, Special Issue on Multiscale Simulations in Soft Matter, Polymers (ISSN 2073-4360), 2013, 5, 890-936. [DOI]
    6. B. J. Zern, A-M. Chacko, J. Liu, C. F. Greineder, E. R. Blankemeyer, R. Radhakrishnan, V. R. Muzykantov, Reduction of nanoparticle avidity enhances the selectivity of vascular targeting and PET detection of pulmonary inflammation, ACS Nano, 2013, 7(3):2461-2469. (Pubmed ID: 23383962).
    7. P. S. Ayyaswamy, V. Muzykantov, D. M. Eckmann, R. Radhakrishnan, Nanocarrier Hydrodynamics and Binding in Targeted Drug Delivery: Challenges in Numerical Modeling and Experimental Validation, J. Nanotechnology for Engineering and Medicine, 2013, 4, 010101. [DOI: 10.1115/1.4024004]
    8. Y. Liu, N. J. Agrawal, R. Radhakrishnan, A molecular docking study of the binding of ruthenium complex compounds to PIM1, GSK3, and CDK2 protein kinases, J. Molecular Modeling, 2013, 19, 371-382. (DOI).
    9. P. J. Huwe, and R. Radhakrishnan, Computational Methodology for Mechanistic Profiling of Kinase Domain Mutations in Cancers, Proceedings of the IEEE, 5th International Advanced Research Workshop on In Silico Oncology and Cancer Investigation, 2013, pp:1-4. Open access version of the article is also available through ICCS and through VPH Institute.
    10. R. Radhakrishnan, B. Uma, J. Liu, P. S. Ayyaswamy, D. M. Eckmann, Temporal multiscale approach for nanocarrier motion with simultaneous adhesion and hydrodynamic interactions in targeted drug delivery , J. Computational Physics, 2012, 244, 252-263. (DOI).

2012
    1. J. H. Park1, Y. Liu1, M. A. Lemmon*, R. Radhakrishnan*, Erlotinib binds both inactive and active conformations of the EGFR tyrosine kinase domain, Biochem J., 2012, 448(3), 417-423; 1. Equal contribution, * co-corresponding authors. (Pubmed ID: 23101586) (DOI).
    2. R. P. Bradley, R. Radhakrishnan, modeling of membrane curvature driven by epsin, Bioengineering Conference (NEBEC), IEEE Proceedings of the Bioengineering Conference (NEBEC), 38th Annual Northeast Meeting, 2012, 317-318. ISSN: 2160-7001, Print ISBN: 978-1-4673-1141-0. 10.1109/NEBC.2012.6207092. (Available at IEEE Explore)
    3. R. Tourdot, J. Liu, R. Radhakrishnan, Mesoscale simulations of curvature inducing protein partitioning in the presence of mean curvature gradients, IEEE Proceedings of the Bioengineering Conference (NEBEC), 38th Annual Northeast Meeting, 2012, 366-367. ISSN: 2160-7001, Print ISBN: 978-1-4673-1141-0. DOI: 10.1109/NEBC.2012.6207116. (Available at IEEE Explore)
    4. B. Uma, R. Radhakrishnan, D. M. Eckmann, P. S. Ayyaswamy, Nanocarrier-cell surface adhesive and hydrodynamic interactions: ligand-receptor bond sensitivity study, ASME Journal of Nanotechnology for Medicine and Engineering, 2012, 3, 031009.
    5. B. Uma, P.S. Ayyaswamy, R. Radhakrishnan, D.M. Eckmann, Fluctuating Hydrodynamics Approach for the Simulation of Nanoparticle Brownian Motion in a Newtonian Fluid, Int. J. Micro-Nano Scale Transport, 2012, 3(1+2), 13-20.
    6. B. Uma, D. M. Eckmann, R. Radhakrishnan, P. S. Ayyaswamy, Hybrid scheme combining fluctuating hydrodynamics and generalized Langevin dynamics for nearly neutrally buoyant particle in stationary medium,, ASME Journal of Heat Transfer, 2013, 135, 011011.
    7. R. Radhakrishnan, Roles for Thermodynamics and Catalysis in Systems Biology: Case and Point, Editorial in Journal of Thermodynamics and Catalysis, OMICS Publishing Group, 2012, 3:e102. doi:10.4172/2157- 7544.1000e102. (Open Access).
    8. B.Uma, R.Radhakrishnan, D.M.Eckmann and P.S.Ayyaswamy, Fluctuating hydrodynamics approach for the simulation of nanoparticle Brownian motion in a Newtonian fluid, Proceedings of the 21st National and 10th ISHMT-ASME Heat and Mass Transfer conference, 2012.
    9. J. Liu, D. M. Eckmann, P. S. Ayyaswamy, R. Radhakrishnan,Modeling of Binding Free Energy of Targeted Nanocarriers to Cell Surfaces, The Seventh Interdisciplinary Transport Phenomena Conference, Proceedings of ITP2011, Interdisciplinary Transport Phenomena VII: Fluid, Thermal, Biological, Materials and Space Sciences, 2011, Dresden, Germany, pp6-6 to 6-11.
    10. B.Uma, R.Radhakrishnan, D.M.Eckmann and P.S.Ayyaswamy, Modeling of a nanoparticle motion in a Newtonian fluid: A comparison between fluctuating hydrodynamics and generalized Langevin methods, Proceedings of the ASME 3rd Micro/Nanoscale Heat and Mass Transfer International Conference, Paper No. MNHMT2012-75019, 2012.
    11. J. Liu, N. J. Agrawal, D. M. Eckmann, P. S. Ayyaswamy, R. Radhakrishnan, Top-down Mesoscale Models and Free Energy Calculations of Multivalent Protein-Protein and Protein-Membrane Interactions in Nanocarrier Adhesion and Receptor Trafficking, Innovations in Biomolecular Modeling, Royal Society of Chemistry Publishing, 2012, chapter 11, pp272-287. ISBN-10: 1849734100; ISBN-13: 978-1849734103
    12. S. E. Telesco, R. Radhakrishnan, Structural Systems Biology and Multiscale Signaling Models, Annals of Biomedical Engineering, 2012, 40(11), 2295-2306. (Pubmed ID: 22539148).
    13. S. E. Telesco, A. Shih, Y. Liu, R. Radhakrishnan, Investigating Molecular Mechanisms of Specificity in Regulation of the HER2 Receptor Tyrosine Kinase through Molecular Modeling and Simulation, International Journal of Cancer Research and Prevention (2011), ISSN: 1554-1134, Volume 4, Number 3, 2012, pp219-252. (open access)
    14. B. Uma, D. M. Eckmann, P. S. Ayyaswamy, R. Radhakrishnan, A hybrid formalism combining fluctuating hydrodynamics and generalized Langevin dynamics for the simulation of nanoparticle thermal motion in an incompressible fluid medium, Molecular Physics, 2012, 110(11–12), 1057–1067. (DOI: 10.1080/00268976.2012.663510)
    15. J. Liu, R. Tourdot, V. Ramanan, N. J. Agrawal, R. Radhakrishnan, Mesoscale Modeling and Simulations of Spatial Partitioning of Curvature Inducing Proteins under the Influence of Mean Curvature Fields in Bilayer Membranes, Molecular Physics, 2012, 110(11–12), 1127–1137. (DOI:10.1080/00268976.2012.664661)

2011
    1. B. Uma, T. N. Swaminathan, P. S. Ayyaswamy, D. M. Eckmann, R. Radhakrishnan, Generalized Langevin dynamics of a nanoparticle using a finite element approach: Thermostating with correlated noise, J. Chem. Phys., 2011, 135, 114104. DOI: 10.1063/1.3635776; Erratum, 136, 019901, 2012.
    2. B. Uma, T. N. Swaminathan, R. Radhakrishnan, D. M. Eckmann, and P. S. Ayyaswamy, Nanoparticle Brownian motion and hydrodynamic interactions in the presence of flow fields, Phys. Fluids, 2011, 23, 073602. doi:10.1063/1.3611026
    3. V. Ramanan, N. J. Agrawal, J. Liu, S. Engles, R. Toy, R. Radhakrishnan, Systems Biology and Physical Biology of Clathrin-Mediated Endocytosis: An Integrative Experimental and Theoretical Perspective, Integrative Biology (RSC Journal), 2011, 3(8), 803-815. DOI: 10.1039/c1ib00036e; (Pubmed ID: 21792431).
    4. J. Liu, N. J. Agrawal, A. Calderon, P. S. Ayyaswamy, D. M. Eckmann, R. Radhakrishnan, Multivalent binding of nanocarrier to endothelial cells under shear flow, Biophysical J., 2011, 101(2):319-326. (Pubmed ID: 21767483).
    5. J. Liu, R. P. Bradley, D. M. Eckmann, P. S. Ayyaswamy, R. Radhakrishnan, Multiscale Modeling of Functionalized Nanocarriers in Targeted Drug Delivery, Current Nanoscience, 2011, 7(5): 727-735. (Pubmed ID: 22116782)
    6. V. Muzykantov, R. Radhakrishnan, D. M. Eckmann, Dynamic factors controlling targeting nanocarriers to vascular endothelium, Current Drug Metabolism, 2012, 113, 70. (Pubmed ID: 22292809)
    7. S. E. Telesco, A. J. Shih, F. Jia, R. Radhakrishnan, A Multiscale Modeling Approach to Investigate Molecular Mechanisms of Pseudokinase Activation and Drug Resistance in the HER3/ErbB3 Receptor Tyrosine Kinase Signaling Network, Molecular Biosystems, 2011, 7(6), 2066-2080. DOI: 10.1039/c0mb00345j. (Pubmed: 21509365)
    8. T. N. Swaminathan, B. Uma, J. Liu, R. Radhakrishnan, P. S. Ayyaswamy, D. M. Eckmann, Dynamic factors controlling carrier anchoring on vascular cells, IUBMB Life, 2011, 63(8):640-647. (Pubmed: 21721099)
    9. A. J. Shih, S. E. Telesco, R. Radhakrishnan, Analysis of Somatic Mutations in Cancer: Molecular Mechanisms of Activation in the ErbB family of Receptor Tyrosine Kinases, Cancers, 2011, 3(1), 1195-1231; doi:10.3390/cancers3011195 (open access). (Pubmed: 21701703)
    10. S. E. Telesco, A. Shih, Y. Liu, R. Radhakrishnan, Investigating Molecular Mechanisms of Activation and Mutation of the HER2 Receptor Tyrosine Kinase through Computational Modeling and Simulation, 2011, Cancer Research Journal, 4(4), 1-35.
    11. A. J. Shih, S. E. Telesco, S. H. Choi, M. A. Lemmon, R. Radhakrishnan, Molecular Dynamics Analysis of Conserved Hydrophobic and Hydrophilic Bond Interaction Networks in ErbB Family Kinases, 2011, Biochemical Journal, 436, 241-251. (Pubmed: 21426301)

1997-2010
  1. J. Liu, G. E. R. Weller, B. Zern, P. S. Ayyaswamy, D. M. Eckmann, V. Muzykantov, R. Radhakrishnan, A Computational Model for Nanocarrier Binding to Endothelium Validated Using In Vivo, In Vitro, and Atomic Force Microscopy Experiments, 2010, Proceedings of the National Academy of Sciences, 107(38), 16530-16535. (Pubmed: 20823256) SUPPLEMENTARY
  2. N.J. Agrawal, J. Nukpezah, R. Radhakrishnan, Minimal Mesoscale Model for Protein-Mediated Vesiculation in Clathrin-Dependent Endocytosis, 2010, Plos: Computational Biology, , 6(9) e1000926, 2010. doi:10.1371/journal.pcbi.1000926. (Pubmed: 20838575) SUPPLEMENTARY
  3. F. Shi, S. E. Telesco, Y. Liu, R. Radhakrishnan*, M. A. Lemmon*, The ErbB3/HER3 Intracellular Domain is Competent to Bind ATP and Catalyze Autophosphorylation, 2010, Proceedings of the National Academy of Sciences, 107, 7692-7697. *Co-corresponding authors. (Pubmed: 20351256) SUPPLEMENTARY
  4. S. E. Telesco, A. Shih, Y. Liu, R. Radhakrishnan, Investigating Molecular Mechanisms of Specificity in Regulation of the HER2 Receptor Tyrosine Kinase through Molecular Modeling and Simulation, HER2 and Cancer: Mechanism, Testing and Targeted Therapy, Nova Science Publishers, New York, 2011, 47-80.
  5. A. J. Shih*, S. E. Telesco*, Y. Liu, R. Venkatramani, R. Radhakrishnan, Computational methods related to reaction chemistry, Comprehensive Biomaterials, eds. P. Ducheyne, Elsevier London, 2011, vol 3, 155-169. *These authors contributed equally.
  6. R. Venkatramani, R. Radhakrishnan, Computational Delineation of the Catalytic Step of a High Fidelity DNA Polymerase, 2010, Protein Science (A Protein Society Journal), 19(4), 815-825. PDF. SUPPLEMENTARY. (Pubmed: 20162624)
  7. J. Purvis, A. J. Shih, Y. Liu, R. Radhakrishnan, Book Chapter: Cancer cell- linking oncogenic signaling to molecular structure, Book title: Multiscale Cancer Modeling, Editors: T. S. Deisboeck, G. Stamatakos, Chapman & Hall-CRC Mathematical and Computational Biology Series, 2011, pp31-43.
  8. N.J. Agrawal, R. Radhakrishnan, Calculation of Free energies Calculation of free energies in fluid membranes subject to heterogeneous curvature fields, 2009, Phys Rev E, 80, 011925. PDF. SUPPLEMENTARY.(Pubmed: 19658747)
  9. J. E. Purvis, R. Radhakrishnan, S. L. Diamond, Assembling large-scale kinetic models of cellular dynamics from modular steady-state networks, 2009, PLoS: Computational Biology, 5(3) e1000298. PDF. (Pubmed: 19266013)
  10. S. E. Telesco, R. Radhakrishnan, Insights into regulatory mechanisms of the HER2 tyrosine kinase domain through molecular dynamics simulations, 2008, Biophysical J., 96(6), 2321-2334. PDF. SUPPLEMENTARY.(Pubmed ID: 19289058)
  11. A. Suenaga, M. Hatakeyama, A. B. Kiyatkin, R. Radhakrishnan, M. Taiji, and B. N. Kholodenko, Tyr-317 phosphorylation reduces Shc binding affinity for phosphotyrosyl residues of epidermal growth factor receptor, 2009, Biophysical J., 96(6), 2278-2288. PDF. (Pubmed ID: 19289054).
  12. N.J. Agrawal, J. Weinstein, R. Radhakrishnan, Landscape of Finite-Temperature Equilibrium Behavior of Curvature Inducing Proteins on a Bilayer Membrane Explored using a Linearized Elastic Free Energy Model, 2008, Molecular Physics, 106, 1913-1923. PDF. (Pubmed Central: PMC3020790)
  13. Andrew Shih, Jeremy Purvis, R. Radhakrishnan, Molecular Systems Biology of ErbB1 Signaling: Bridging the Gap through Multiscale Modeling and High-Performance Computing, 2008, Mol. Biosystems. (A Royal Society of Chemistry Journal), 4, 1151-1159. Highlight article. PDF. (Pubmed ID: 19396377).
  14. J. Purvis, V. Ilango, R. Radhakrishnan, Role of Network Branching in Eliciting Differential Short-Term Signaling Responses in the Hyper-Sensitive Epidermal Growth Factor Receptor Mutants Implicated in Lung Cancer, 2008, Biotechnology progress, 24, 540-553. PDF. (Pubmed ID: 18412405)
  15. R.Venkatramani and R. Radhakrishnan, A computational study of the force dependence of phosphoryl transfer during DNA synthesis by a high fidelity polymerase, 2008, Physical Review Letters., 100, 088102. PDF. SUPPLEMENTARY.(Pubmed ID: 18352668)
  16. N.J. Agrawal, R. Radhakrishnan, P. Purohit, Coarse-grained model for DNA curvature and flexibility in the presence of DNA-binding proteins, 2007, Biophysical J, 94:3150 (Pubmed ID: 18192346).
  17. Invited Article: N.J. Agrawal and R. Radhakrishnan, Role of glycocalyx in mediating nanocarrier cell adhesion explored using a thermodynamic model and Monte Carlo Simulation, 2007, J. Phys. Chem. C 2007, 111, 15848 - 15856. (Pubmed ID: 19081797).
  18. R.Venkatramani and R. Radhakrishnan, The effect of oxidatively damaged DNA on the active site pre-organization during nucleotide incorporation in a high fidelity polymerase from Bacillus stearothermophilus, 2007, Proteins: structure, function, bioinformatics, 71, 1360-1372. PDF (Pubmed ID: 18058909).
  19. B. J. Anderson, R. Radhakrishnan, B. Peters, G. P. Borghi, J. W. Tester, and B. L. Trout, 2007, Molecular simulations of ice and gas hydrate nucleation, Physics and Chemistry of Ice, Molecular simulations of ice and gas hydrate nucleation, Physics and Chemistry of Ice, Royal Society of Chemistry, Eds. Werner Kuhs, Cambridge, England, 3-13. ISBN (print): 978-0-85404-350-7, DOI: 10.1039/9781847557773.
  20. J. Purvis, Y. Liu, V. Ilango, and R. Radhakrishnan, Efficacy of tyrosine kinase inhibitors in the mutants of the epidermal growth factor receptor through a multiscale molecular/ systems model for phosphorylation and inhibition, 2007, Proceedings of Foundations in Systems Biology and Engineering II, Ed. F. Algower, M. Reuss, Fraunhofer IRB Verlag Stuttgart, pp 289-294. ISBN 978-3-8167-7436-5. PDF
  21. R. Radhakrishnan, Coupling of Fast and Slow Modes in the Reaction Pathway of the Minimal Hammerhead Ribozyme Cleavage, 2007, Biophys J., 93, 2191-2399. PDF (Pubmed ID: 17545240).
  22. Y. Liu§, J. Purvis§, A. Shih, J. Weinstein, N. Agrawal, R. Radhakrishnan, A multiscale computational approach to dissect early events in the Erb family receptor mediated activation, preferential signaling, and relevance to oncogenic transformations, 2007, Annals of Biomedical Engineering, 35, 1012-1025; § these authors contributed equally. PDF (Pubmed ID: 17273938).
  23. J. Weinstein, R. Radhakrishnan, KMC-TDGL, a coarse-grained methodology for simulating interfacial dynamics in complex fluids: application to protein-mediated membrane processes, 2006, Mol. Phys., 104, 3653–3666, 2006. PDF
  24. R. Radhakrishnan, K. Arora, Y. Wang, W. A. Beard, S. H. Wilson, T. Schlick, Regulation of DNA repair fidelity by molecular checkpoints: gates in DNA polymerase beta's substrate selection, 2006, Biochemistry, 45, 15142-15156. (Pubmed ID: 17176036)
  25. R. Radhakrishnan*, T. Schlick, 2006, Correct and incorrect nucleotide incorporation pathways in DNA polymerase beta, Biochem. and Biophys. Res. Communications, 350, 521-529; *corresponding author (Pubmed ID: 17022941).
  26. Review Article: C. Alba-Simionesco, B. Coasne, G. Dosseh, G. Dudziak, K. E. Gubbins, R. Radhakrishnan and M. Sliwinska-Bartkowiak, 2006, Effect of confinement on freezing and melting, J. Phys.: Cond. Matter, 18, R15-R68. PDF
  27. F. R. Hung, K. E. Gubbins, R. Radhakrishnan, K. Szostak, F. Beguin, G. Dudziak, M. Sliwinska-Bartkowiak, 2005, Melting-Freezing of Lennard Jones in Carbon Nanotubes, Applied Physics Letters, 86, 103110.
  28. C. Lo, R. Radhakrishnan, B. L. Trout, 2005, Application of Transition Path Sampling Methods in Catalysis: A New Mechanism for C-C Bond Formation in the Methanol Coupling Reaction in Chabazite, Catal. Today, 105, 93. PDF
  29. R. Radhakrishnan and T. Schlick, 2005, Fidelity Discrimination in DNA polymerase b: differing closing profiles for a mismatched (G:A) versus matched (G:C) base pair, J. Am. Chem. Soc., 127, 13245-13252. (Pubmed ID: 16173754).
  30. Invited Contribution: R. Radhakrishnan, B. L. Trout, 2005, Order parameters in molecular simulations, Handbook of Materials Modeling, Ed. S. Yip, Chapter 6, Kluwer Academic Publishers, Dordrecht, pp 1613-1626. PDF
  31. M. Sliwinska-Bartkowiak, G. Dudziak, M. Kempinski, W. Kempinski, R. Radhakrishnan, F. Hung, K. E. Gubbins, 2004, Melting and freezing in narrow pores: Dielectric and EPR studies, Non-linear Dielectric Phenomena in Complex liquids, Eds. S. J. Rozoska, V. P. Zhelezny, Kluwer Academic, Netherlands, pp 357-366.
  32. R. Radhakrishnan and T. Schlick, 2004, Orchestration of cooperative events in DNA synthesis and repair mechanism unraveled by transition path sampling of DNA polymerase beta’s closing, Proc. Nat. Acad. Sci., 101, 5970. PDF; supplementary information PDF (Pubmed ID: 15069184).
  33. R. Radhakrishnan and T. Schlick, 2004, Biomolecular Free Energy Profiles by a Shooting/Umbrella Sampling Protocol (BOLAS), J. Chem. Phys., 121, 2436. PDF. (Pubmed ID: 15260799).
  34. C. Lo, C. A. Giurumescu, R. Radhakrishnan, B. L. Trout, 2004, Methanol coupling in the zeolite chabazite studied via first-principles molecular dynamics, Mol. Phys., 102, 281. PDF
  35. R. Radhakrishnan, A. Demurov, H. Herzog, B. L. Trout, 2003, A consistent and verifiable model for the dissolution of CO2 in water under hydrate forming conditions, Energy Conversion Management, 44, 771. PDF
  36. R. Radhakrishnan, B. L. Trout, 2003, Nucleation of hexagonal ice Ih in liquid water, J. Am. Chem. Soc., 125, 7743. (Pubmed ID: 12812516).
  37. R. Radhakrishnan, B. L. Trout, 2003, Nucleation of crystalline phases of water underhomogeneous and inhomogeneous environments, Phys. Rev. Lett., 90, 158301. PDF. (Pubmed ID: 12732077).
  38. Freezing/Melting in Porous Carbons, F. R. Hung, K. E. Gubbins, R. Radhakrishnan, F. Beguin and M. Sliwinska-Bartkowiak, Proceedings of the 3rd Pacific Basin Conference on Adsorption Science and Technology, ed. C-H. Lee, World Scientific, Singapore, pp. 9-16, 2003.
  39. R. Radhakrishnan and K. E. Gubbins, Freezing in porous materials, M. Sliwinska-Bartkowiak, 6 pages, Proceedings of COPS-VI Studies in surface science and catalysis, Elsevier, Amsterdam, 2003.
  40. R. Radhakrishnan, B. L. Trout, Mechanism for nucleation of CO2 hydrate clathrates studied using a Monte Carlo based approach, Fourth international conference on gas hydrates, Yokohama, Japan, pp494, 2002.
  41. R. Radhakrishnan, A. Demurov, H. J. Herzog, B. L. Trout, Modeling the dissolution of liquid CO2 in water under hydrate forming conditions, Fourth international conference on gas hydrates, Yokohama, Japan, pp262, 2002.
  42. R. Radhakrishnan, M. Sliwinska-Bartkowiak, and K. E. Gubbins, 2002, Global Phase Diagrams for Freezing in Porous Media”, J. Chem. Phys., 116 (3), 1147. PDF
  43. R. Radhakrishnan, M. Sliwinska-Bartkowiak, and K. E. Gubbins, 2002, “Existence of a hexatic phase in porous media”, Phys. Rev. Lett., 89 (7), 076101. (Pubmed ID: 12190533).
  44. A. Demurov, R. Radhakrishnan, and B. L. Trout, 2002, “Computations of Diffusivities in ice and CO2 clathrate via molecular dynamics and Monte Carlo simulations”, J. Chem. Phys., 116 (2) 702. PDF
  45. R. Radhakrishnan, B. L. Trout, 2002, “A new approach for studying nucleation phenomena using molecular simulations: Application to CO2 hydrate clathrates”, J. Chem. Phys., 117 (4), 1786. PDF
  46. M. Sliwinska-Bartkowiak, R. Radhakrishnan, and K.E. Gubbins, 2001, “Effect of confinement on melting in slit-shaped Pores: experimental and simulation study of aniline in activated carbon fibers”, Mol. Sim., 27, 323.
  47. M. Sliwinska-Bartkowiak, G. Dudziak, R. Sikorski, R. Gras, K. E. Gubbins, R. Radhakrishnan, K. Kaneko, 2001, “Freezing behavior in porous materials: theory and experiments”, Polish J. Chem., 75 (4), 547.
  48. M. Sliwinska-Bartkowiak, G. Dudziak, R. Gras, R. Sikorski, R. Radhakrishnan and K. E. Gubbins, 2001, “Melting/freezing behavior of a fluid confined in pores”, Colloids and Surfaces A, 187-188, 523. PDF
  49. M. Sliwinska-Bartkowiak, J. Gras, R. Sikorski, G. Dudziak, R. Radhakrishnan and K. E. Gubbins, “Experimental and simulation studies of phase transitions in porous silica glasses”, June 1999, COPS-V, Heidelberg, Germany (proceedings in Studies in Surface Science and Catalysis, Elsevier, 2000).PDF
  50. Understanding Freezing Behavior in Porous Materials, R. Radhakrishnan, M. Sliwinska-Bartkowiak, K.E. Gubbins, K. Kaneko, Eds. K. Kaneko, H. Kanoh, and Y. Hanzawa, Fundamentals of Adsorption 7, International Adsorption Society (IK international pub), 341, 2002.
  51. M. Sliwinska-Bartkowiak, G. Dudziak, R. Sikorski and R. Gras, R. Radhakrishnan and K. E. Gubbins, 2000, “An experimental study of the effect of fluid-wall interaction on the freezing behavior in confined fluids”, Phys. Chem. Chem. Phys., 3, 1179.
  52. M. Sliwinska-Bartkowiak, G. Dudziak, R. Sikorski, R. Gras, R. Radhakrishnan, K. E. Gubbins, 2000, “Melting/freezing behavior of a fluid confined in porous glasses and MCM-41”, J. Chem. Phys., 114 (2) 950. PDF
  53. R. Radhakrishnan, K. E. Gubbins and M. Sliwinska-Bartkowiak, 2000, “Effect of the fluid-wall interaction on freezing of confined fluids: Toward the development of a global phase diagram”, J. Chem. Phys, 112 (24), 11048. PDF
  54. Remarkable melting point behavior in activated carbon fibers, R. Radhakrishnan and K. E. Gubbins, 4 Pages, Proceedings of Carbon 99, Charleston, SC, 1999.
  55. Review Article: L. D. Gelb, K. E. Gubbins, R. Radhakrishnan and M. Sliwinska-Bartkowiak, 1999, “Phase separation in confined systems”, Reports on Progress in Physics, 62 (12), 1573; Erratum: 2000, 63 (4), 727. PDF
  56. A. Watanabe, K. Kaneko, T. Iiyama, R. Radhakrishnan and K. E. Gubbins, 1999, “A remarkable freezing point elevation of CCl4 in graphitic micropores”, J. Phys. Chem. B, 103 (34), 7061. PDF
  57. M. Sliwinska-Bartkowiak, J. Gras, R. Sikorski, R. Radhakrishnan, L. D. Gelb and K. E. Gubbins, 1999, “Phase transition in pores: experimental and simulation studies of melting and freezing”, Langmuir, 15 (18), 6060. PDF
  58. R. Radhakrishnan, K. E. Gubbins, A. Watanabe and K. Kaneko, 1999, “Freezing of simple fluids in microporous activated carbon fibers: A comparative study between simulation and experiment”, J. Chem. Phys, 111 (19), 9058. PDF
  59. R. Radhakrishnan and K. E. Gubbins, 1999, “Free energy studies of freezing in slit pores: an order parameter study using Monte Carlo simulation”, Mol. Phys., 96, 1249. PDF (pre-print)
  60. R. Radhakrishnan and K. E. Gubbins, 1997, “Quasi-one-dimensional phase transitions in nanopores: pore-pore correlation effects”, Phys. Rev. Lett., 78 (15), 2847. PDF

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