Speaker
Description
The Modified Buckingham Potential is an empirical phenomenological model that describes
interatomic interaction. It offers an alternative to commonly used potentials, such as the
Lennard-Jones and Morse potentials. This potential uses a real exponential function to
approximate repulsive forces and a negative integer exponential function for attractive forces.
In the report, we propose an original method for estimating the parameters of the
Buckingham potential. This method is based on representing the potential as a general
solution to an equivalent ordinary differential equation, allowing us to estimate a new set of
parameters from a linear differential model. The advantage of this approach is that it allows
us to find the new unknown parameters by solving a linear algebraic system with constraints,
depending on the original parameters.
