User Portlet

Old mathematician.

Main areas of work:

• Reaction paths and their approximations; minimum energy path; streambed
• Reaction path branches; Valley Ridge Inflection (VRI) points; singular points; bifurcations
• Search for stationary points; transition states
• Numerical implementation in internal coordinates; metric
• Predictor-Corrector Method
• 2D and N-dimensional models of potential energy surfaces (PES)
• Frenkel-Kontorova Model
• Vibration-rotation lines of linear and quasilinear molecules