Development of theoretical tools | Chemistry and Biochemistry | SIU

Southern Illinois University



College of Agriculture, Life and Physical Sciences

Development of theoretical tools

Four projects are active in this research area: (1) Constructing potential energy surfaces for transition metal clusters/nanoparticles; (2) Developing meta-MD simulations (3) Comparing various density functionals for use in the study of transition metal clusters/nanoparticles; (4) Comparing various theories in electron excitation/transfer processes.       

 Publications related to this research area: