Main

Fields of interest:

• Electronic structure of molecules
• Statistical mechanics of polymers in the liquid phase
• Long time dynamics of proteins and polymers in solution

Recent publications:
K.F. Freed, D. Buta, I. Szleifer:
Monte Carlo Test of the Lattice Cluster Theory: Thermodynamic Properties of Binary Polymer Blends,
J. Chem. Phys. 114, 1424 (2001).

K.F. Freed, D.M. Potts, C. M. Taylor, R.K. Chaudhuri:
The Improved Virtual Orbital-Complete Active Space Configuration Interaction Method, A "Packageable" Efficient Ab Initio Many-body Method for Describing Electronically Excited States,
J. Chem. Phys. 114, 2592 (2001).

K.F. Freed, J. Dudowicz:
Lattice Cluster Theory for Copolymer Blends: General Theory in the Incompressible System, Long Chain Limit,
Polish J. Chem. 75, 527 (2001).

K.F. Freed, S. Lee, H. Sun., B. Kim:
Quantum Interference and Asymptotic Interactions in the Photodissociation of SH: Total Cross Section and Branching Ratios,
J. Chem. Phys., 114, 5537 (2001).

K. F. Freed, H. Frielinghaus, D. Schwahn, J. Dudowicz, K. W. Foreman:
Small Angle Neutron Scattering Studies of Polybutadiene/Polystyrene Blends as a Function of Pressure and Microstructure: Comparison of Experiment and Theory,
J. Chem. Phys. 114, 5016 (2001).

K. F. Freed, J. Dudowicz, J. F. Douglas:
Lattice Model of Living Polymerization. III: Evidence for Particle Clustering from Phase Separation Properties and "Rounding" of the Dynamical Clustering Transition,.
J. Chem. Phys. 113, 434-46 (2000).

K. F. Freed, J. Dudowicz:,
Explanation for the Unusual Phase Behavior of Polystyrene-b-Poly(n-alkyl methacrylate) Diblock Copolymers: Specific Interactions,
Macromolecules 33, 5292-9 (2000).

K. F. Freed, J. Dudowicz:
Explanation for the Inversion of an UCST Phase Diagram to a LCST Phase Diagram,
Binary Polybutadiene Blends. , Macromolecules 33, 9777 (2000)