Theoretical and computational methods
Complexity of the problems, which are solved by the MBN Science group, implies utilization of a wide range of computational methods. We use standard program packages where it is possible, but also develop our own codes when we need to go beyond the limits of standard programs. We suggest new theoretical approaches and methods, develop and justify new models for the description of complex MBN systems and the solution of MBN Science problems. The permanent progress in this direction is inherent attribute of the research activities of the group. The new theoretical methods, computer codes and packages developed by the MBN Science group include:
- Software package Cluster Searcher
- Software package MBN Explorer
- Cluster fusion algorithm
- Two center multipole expansion method
- Monte-Carlo code for channeling dynamics and the radiation
- Self-consistent Hartree-Fock and LDA (Local Density Approximation) codes for calculation of the ground and excited states of spherical jellium cluster systems
- Self-consistent Hartree-Fock and the LDA (Local Density Approximation) codes for calculation of the ground and excited states of deformed jellium cluster systems
- Linear Energy Transfer code for IBCT
- Development of computer tools for graphical processors (CUDA)
- RPAE code
- PHOTO code
- SIGMA code