Jayendran Rasaiah

Professor, Department of Chemistry
University of Maine
254 Aubert Hall
Orono, ME 04469

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  • Professor, Chemistry Department
  • Cooperating Professor of Physics


  • Ph.D., 1965, University of Pittsburgh
  • B.Sc. (Chemistry), University of Ceylon

Courses Taught

  • Statistical Thermodyamics/Statistical Mechanics (CHY 673/PHY 512)
  • Physical Chemistry III/Principles of Quantum Chemistry (CHY 475/575)
  • Computer Simulation Methods (CHY 573)
  • Physical Chemistry I (CHY 471)
  • Physical Chemistry II (CHY 472)
  • General Chemistry (CHY 121/CHY 122)

Research Interests

My research interests are multidisciplinary. They include theoretical and computer simulations studies of the structure and dynamics of liquids, ionic solutions, polar fluids, nanotubes, and confined systems.  Collaborators and students are listed in parenthesis.

Theoretical and computational interests are focused on

  • Nanocluster Growth and Coalescence Modulated by Ligands (with M. Farshad, D. Suvlu).
  • Thermodynamics of helix-coil transitions of polypeptides in carbon nanotubes (with S. Samaratunga, Dylan Suvlu, and Professor D. Thirumalai).
  • Proton transfer and the mobilities of the H+ and OH ions from studies of a dissociating model of water (with Professor Song Hi Lee).
  • ab initiocalculations of proton affinities (with Indira Silwal and Touradj Solouki).
  • Water in Protein Cavities (with Hao Yin, and G. Hummer).
  • Water in Confined Systems (with S. Vaitheeswarn, Hao Yin, and G. Hummer).
  • Water conduction though carbon nanotubes (with G. Hummer, J.P. Noworyta and A. Waghe).

Previous research highlights are:

  • The hypernetted chain approximation (HNC) for electrolytes (with Professor Harold Friedman).
  • Perturbation theories and Pade’ approximants for the free energy of polar fluids (with Professor George Stell).
  • The potential of mean force between ions in a polar solvent (with Dr. Ian McDonald).
  • Dipolar ordering and electrostriction near a charged wall (with John Eggebrecht and Dr. Dennis Isbister).
  • The sticky electrolyte model for weak electrolytes (with Song Hi Lee, Jianjun Zhu).
  • Solvent dynamics on electron transfer reactions (with Jianjun Zhu).
  • Computer Simulation studies of the structure and dynamics of Ions and Nonpolar solutes in bulk water and in channels (with S.Koneshan, Dr. J.P Noworyta and Professor Ruth Lynden -Bell).
  • Supercritical fluids (with J.P. Noworyta, S. Koneshan, Professor R. Lynden-Bell).
  • Effect of chain formation on the phase transitions of polar fluids (with G. Dubey).
  • Hydrophobic and hydrophilic effects by computer simulation of solvation entropy and free energy of simple solutes (with Professor Ruth Lynden-Bell).
  • Elasticity of single molecules of double stranded DNA (with J. Lynch).