Prof. M.S. Samantha Weerasinghe
Department of Chemistry
Publications
“Unimolecular dissociation kinetics of rare gas clusters: A comparison of molecular simulation results with dissociation rate theories”
“Unimolecular dissociation kinetics of rare gas clusters: A comparison of molecular simulation results with dissociation rate theories”, S.D. Kumarage and Samantha Weerasinghe, 63thannual sessions of Sri Lanka Association for the advancement of science, Sri Lanka, Open University, Nawala, Nugegoda, December 05-08, 2007.
“Molecular Modeling: Scientists competing with nature”, Samantha Weerasinghe Presented at the seminar series on “The Search for drugs”, PPGL Siriwardane Auditorium, Institute of Chemistry, Ceylon, February 3, 2006.
“A Kirkwood-Buff derived force field for methanol and aqueous methanol solutions”
“A Kirkwood-Buff derived force field for methanol and aqueous methanol solutions”, S. Weerasinghe and Paul E. Smith, J. Phys. Chem. B, 109, 15080-15086 (2005).
“A Kirkwood-Buff derived force field for the simulation of aqueous guanidium chloride solutions”
“A Kirkwood-Buff derived force field for the simulation of aqueous guanidium chloride solutions”, S. Weerasinghe and Paul E. Smith, J. Chem. Phys., 121, 2120-2186 (2004)
“Kirkwood-Buff Derived Force Fields for Molecular Simulations” Samantha Weerasinghe Presented at the Physical Chemistry seminar series, Department of Chemistry, Kansas State University, Manhattan, KS 66506, U.S.A., September 02, 2003.
“Kirkwood-Buff derived force field for mixtures of urea and water”
“Kirkwood-Buff derived force field for mixtures of urea and water”, S. Weerasinghe and Paul E. Smith, J. Phys. Chem. B, 107, 3891-3898 (2003)
“Kirkwood-Buff derived force field for mixtures of sodium chloride in water”
“Kirkwood-Buff derived force field for mixtures of sodium chloride in water”, S. Weerasinghe and Paul E. Smith, J. Chem. Phys., 119(21), 11342-11349 (2003)
“Kirkwood-Buff derived force field for mixtures of acetone and water”
“Kirkwood-Buff derived force field for mixtures of acetone and water”, S. Weerasinghe and Paul E. Smith, J. Chem. Phys., 118(23), 10663-10670 (2003)
“Cavity formation and preferential interaction in urea solutions: Dependence on urea aggregation”
“Cavity formation and preferential interaction in urea solutions: Dependence on urea aggregation” S. Weerasinghe and Paul E. Smith, J. Chem. Phys. 118(13), 5901-5910 (2003)
“A Kirkwood-Buff derived force field for Urea/Water mixtures.” Paul E. Smith and Samantha Weerasinghe presented at the Computational Chemistry Gordon Conference, Colby-Sawyer College, New London, NH, U.S.A., June30-July 05, 2002.
“Calculation of the solvation energy of benzene in a non-polar solvent: A molecular dynamics study.”
“Calculation of the solvation energy of benzene in a non-polar solvent: A molecular dynamics study.” S. Weerasinghe presented at the 54th annual sessions of Sri Lanka Association for the advancement of science (1998).
“Development of a new functional form for the interaction energy of inert gases”
“Development of a new functional form for the interaction energy of inert gases”, C. Magamage & S. Weerasinghe, presented at the 53rd annual sessions of the Sri Lanka Association for the advancement of science (1997).
“Structure and Stability of Triplex DNA in salt water solution: A Simulation study”
“Structure and Stability of Triplex DNA in salt water solution: A Simulation study”, S. Weerasinghe , Dept. of Chemistry, University of Colombo, April 1996.
“Structure and stability of model pyrimidine-purine-purine DNA triple helix with a GC.T mismatch by simulation”
“Structure and stability of model pyrimidine-purine-purine DNA triple helix with a GC.T mismatch by simulation”, S. Weerasinghe, P.E. Smith and B.M. Pettitt, Biochemistry, 34, 16269 (1995).
“Nanosecond dynamics and structure of a model DNA triple helix in saltwater solution”
“Nanosecond dynamics and structure of a model DNA triple helix in saltwater solution”, S. Weerasinghe, P.E. Smith, V. Mohan, Y.K. Cheng and B.M. Pettitt, J. Am. Chem. Soc. 177, 2147 (1995).
“Dielectric response of triplex DNA in ionic solution from simulations”
“Dielectric response of triplex DNA in ionic solution from simulations”, L. Yang, S. Weerasinghe, P.E. Smith and P.M. Pettitt, Biophy. Journal, 69, 1519 (1995).
“Ideal chemical potential contribution in molecular dynamics simulations of grand canonical ensemble”
“Ideal chemical potential contribution in molecular dynamics simulations of grand canonical ensemble”, S. Weerasinghe and B.M. Pettitt, Mol. Phys. 82, 897 (1994).
“Dynamics of triple helical DNA in salt water solution: A MD simulation study”
“Dynamics of triple helical DNA in salt water solution: A MD simulation study”, The center for Biotechnology, S. Weerasinghe, and B.M. Pettitt, Bayler College of Medicine, The Woodlands, Texas, U.S.A., March 1994.
“Structure and Stability of DNA triple-helix in salt water solution: A MD simulation study”
“Structure and Stability of DNA triple-helix in salt water solution: A MD simulation study”, S. Weerasinghe, Y.K. Cheng, P.E. Smith and B.M. Pettitt, poster paper presented at the 4th Annual Retreat on W.M. Keck center for Computational Biology, Houston, TX, November 1993.
“MD Simulation at Constant Chemical Potential”, S. Weerasinghe, and B.M. Pettitt Texas Center for Advanced molecular Computation, University of Houston, Houston, TX 77204, U.S.A. November 1993.
“Absolute classical densities of states for very anharmonic systems and application to evaporation of rare gas clusters”
“Absolute classical densities of states for very anharmonic systems and application to evaporation of rare gas clusters” S. Weerasinghe and F.G. Amar, J. Chem. Phys. 98, 4967 (1993).
“Is Cluster Evaporation Statistical? A comparison of Simulation results for Ar13 with exact classical phase space theory.”
“Is Cluster Evaporation Statistical? A comparison of Simulation results for Ar13 with exact classical phase space theory.” S. Weerasinghe and F.G. Amar, Z. Phys. D. 20, 167 (1991
“Cluster Photoexcitation and Evaporation: Two Regimes?”
“Cluster Photoexcitation and Evaporation: Two Regimes?” F.G. Amar and S. Weerasinghe, in Mode Selective Chemistry, pp 165-188, B. Pullman and J. Jortner, eds., Kluwer Academic Publishers, (1991).
“Calculating the Density of States of very Anharmonic Systems: Application to the evaporation of Argon Clusters”
“Calculating the Density of States of very Anharmonic Systems: Application to the evaporation of Argon Clusters”, F.G. Amar and S. Weerasinghe, International Symposium on the Physics and Chemistry of the Finite Systems: From Clusters to Crystals, Virginia Commonwealth University, Richmond, Virginia, U.S.A., October 1991.
“Unimolecular Dissociation Dynamics of Clusters: Testing Statistical Rate Theory against Simulations”
“Unimolecular Dissociation Dynamics of Clusters: Testing Statistical Rate Theory against Simulations”, S. Weerasinghe and F.G. Amar, Atlantic Theoretical Chemistry Symposium, University of Maine, Orono, ME 04469, U.S.A. May 1990.
“Is Cluster evaporation Statistical? A comparison of Simulation Results for Ar13 with Exact Classical Phase Space Theory”
“Is Cluster evaporation Statistical? A comparison of Simulation Results for Ar13 with Exact Classical Phase Space Theory”, F.G. Amar and S. Weerasinghe, poster paper presented at 5th International Symposium on Small Particles and Inorganic Clusters (ISSPIC5) Konstanz, Germany, September 1990.
“Application of the Quaternion Algorithm for the simulation of rigid body motion to a Model of sp2 Hybridized Carbon Clusters”
“Application of the Quaternion Algorithm for the simulation of rigid body motion to a Model of sp2 Hybridized Carbon Clusters”, S. Weerasinghe and F.G. Amar, Atlantic Theoretical Chemistry Symposium, Dalhousie University, Halifax, Canada, May 1989.
“Finite Temperature Dynamics of Carbon Clusters”, S. Weerasinghe and F.G. Amar, poster paper presented at 18th Northeast Regional Meeting of American Chemical Society, July 1988.
“Approaches to Carbon Cluster Dynamics” S. Weerasinghe and F.G. Amar, Atlantic Theoretical Chemistry Symposium University of New Brunswick, Canada, May 1988.