Speaker
Dr
Мирослав Ильяш
(BLTP JINR)
Description
I'll give a brief overview of computational molecular physics (CMP)
techniques in my talk. They fall into two groups: Molecular Mechanics
(MM) and Quantum Mechanics (QM). MM approaches use predefined
analytical interatomic potentials, whereas QM approaches rely on an
approximate solution of the many-electron Schrödinger equation.
Likewise I'll describe few open-source CMP applications that Govorun
users can utilize for their scientific work at JINR.
