Department College of Science
Title professor
Visitor Count 1404
Courses Teaching
"Modeling of soft molecular systems"

1. Purpose of the Course:
The purpose of this course is to provide postgraduate students with a broad overview of computational methodologies applied to study soft molecular systems, with special focus on their structural and spectroscopic properties, comprehensive understanding of the underlying fundamental principles and mastering computational methods for simulation of molecular systems governed by non-covalent interactions. This course aims to expand the professional knowledge on modern computational techniques and understanding of weakly bond molecular systems and localized spectroscopic phenomena, as well as to improve computational abilities for postgraduate students who have acquired a background in physics, material science, chemistry or biochemistry, and who will be engaged in experimental or computational research in these disciplines.
2. Teaching Objects:
① Suitable for students ready for academic or professional degree
② Suitable for students majoring in material science, chemistry, and biochemistry
3. Teaching Content:
                This course introduces postgraduate students to basic concepts of time and space multi-scale description of complex soft molecular systems and spectroscopic phenomena. Fundamental principles of molecular spectroscopy, molecular Hamiltonian, energy levels, transition probabilities, rotational, vibrational and electronic spectra will be introduced for simple case of biatomic molecules, and further extended for realistic systems governed by multidimensional potential energy and property surfaces. Several examples of modern spectroscopic investigations spanning large interval of electromagnetic spectrum, from microwaves to ultraviolet, will be presented with special focus on the interplay between experiment and theory in the analysis and understanding of complex experimental outcomes.